cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane

C283H454Cl3F5N6O11S4 — CID 159480292

IUPACcumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane
SMILESC#CCC(C)C.C=CCC(C)C.CC.CC(C)C(=O)O.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C(C)c1ccccc1.CC(C)C(Cl)(Cl)Cl.CC(C)C(F)(F)F.CC(C)C(F)(F)c1ccccc1.CC(C)C1CCCCC1.CC(C)CC(=O)O.CC(C)CC(C)(C)C.CC(C)CC1CC1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(CN(C)C)o1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)c1ccccc1.CCC(C)C.CCC(c1ccccc1)C(C)C.CO.COC(=O)CC(C)C.COCc1ccccc1
InChIInChI=1S/2C14H16.C12H18.C11H19NO.2C11H16.C10H12F2.3C10H14.3C9H13N.C9H18.C9H12.2C8H12O.C8H10O.2C8H12S.C8H18.2C7H11NS.C7H14.C7H16.C6H12O2.C6H14.C6H12.C6H10.C5H10O2.C5H12.C4H7Cl3.C4H7F3.C4H8O2.C2H6.CH4O/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-4-12(10(2)3)11-8-6-5-7-9-11;1-9(2)7-10-5-6-11(13-10)8-12(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)10(11,12)9-6-4-3-5-7-9;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-9-7-8-5-3-2-4-6-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)6-8(3,4)5;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5(2)4-6(7)8-3;1-5(2)6(3)4;2*1-4-5-6(2)3;1-4(2)3-5(6)7;1-4-5(2)3;2*1-3(2)4(5,6)7;1-3(2)4(5)6;2*1-2/h3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-10,12H,4H2,1-3H3;5-6,9H,7-8H2,1-4H3;4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;3-8H,1-2H3;3*3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2-6H,7H2,1H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7H,6H2,1-5H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5H,4H2,1-3H3;5-6H,1-4H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3;4H,3H2,1-2H3,(H,6,7);5H,4H2,1-3H3;2*3H,1-2H3;3H,1-2H3,(H,5,6);1-2H3;2H,1H3
InChIKeyLWXMGQWPQVDJRW-UHFFFAOYSA-N
MW4446.39 g/mol
LogP88.85
Rot. Bonds59

About cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane

cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane (PubChem CID 159480292) has the molecular formula C283H454Cl3F5N6O11S4 and a molecular weight of 4446.39 g/mol. Its IUPAC name is cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane.

Molecular Properties

Compound Namecumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane
PubChem CID159480292
Molecular FormulaC283H454Cl3F5N6O11S4
Molecular Weight4446.39 g/mol
Exact Mass4441.30
IUPAC Namecumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane
SMILESC#CCC(C)C.C=CCC(C)C.CC.CC(C)C(=O)O.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C(C)c1ccccc1.CC(C)C(Cl)(Cl)Cl.CC(C)C(F)(F)F.CC(C)C(F)(F)c1ccccc1.CC(C)C1CCCCC1.CC(C)CC(=O)O.CC(C)CC(C)(C)C.CC(C)CC1CC1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(CN(C)C)o1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)c1ccccc1.CCC(C)C.CCC(c1ccccc1)C(C)C.CO.COC(=O)CC(C)C.COCc1ccccc1
InChIInChI=1S/2C14H16.C12H18.C11H19NO.2C11H16.C10H12F2.3C10H14.3C9H13N.C9H18.C9H12.2C8H12O.C8H10O.2C8H12S.C8H18.2C7H11NS.C7H14.C7H16.C6H12O2.C6H14.C6H12.C6H10.C5H10O2.C5H12.C4H7Cl3.C4H7F3.C4H8O2.C2H6.CH4O/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-4-12(10(2)3)11-8-6-5-7-9-11;1-9(2)7-10-5-6-11(13-10)8-12(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)10(11,12)9-6-4-3-5-7-9;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-9-7-8-5-3-2-4-6-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)6-8(3,4)5;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5(2)4-6(7)8-3;1-5(2)6(3)4;2*1-4-5-6(2)3;1-4(2)3-5(6)7;1-4-5(2)3;2*1-3(2)4(5,6)7;1-3(2)4(5)6;2*1-2/h3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-10,12H,4H2,1-3H3;5-6,9H,7-8H2,1-4H3;4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;3-8H,1-2H3;3*3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2-6H,7H2,1H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7H,6H2,1-5H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5H,4H2,1-3H3;5-6H,1-4H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3;4H,3H2,1-2H3,(H,6,7);5H,4H2,1-3H3;2*3H,1-2H3;3H,1-2H3,(H,5,6);1-2H3;2H,1H3
InChIKeyLWXMGQWPQVDJRW-UHFFFAOYSA-N
XLogP88.85
TPSA237.47 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds59
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004446.39
LogP ≤ 588.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane with MolForge

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Related Compounds

1,1-difluoro-4-methylpent-1-ene;2,3-dimethylbutane;2,4-dimethylpentane;2,4-dimethylpent-1-ene;2-fluoro-4-methylpent-1-ene;methane;1-methoxy-3-methylbutane;2-methoxypropane;2-methylbutane;3-methylbutan-1-ol;2-(3-methylbutan-2-yl)pyridine;bis(3-(3-methylbutan-2-yl)pyridine);4-(3-methylbutan-2-yl)pyridine;3-methyl-1-methylsulfanylbutane;bis(4-methylpentan-2-ol);4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropane;2-methylpropylbenzene;2-methylpropylcyclopropane;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)thiophene;propane;propan-2-ol;propan-2-ylcyclopropane;2,2,4-trimethylpentane
CID 158093985
cumene;1-methoxy-3-(2-methylpropyl)benzene;tris(1-methoxy-4-(2-methylpropyl)benzene);bis(3-methylbutan-2-ylbenzene);2-(3-methylbutan-2-yl)pyridine;3-methylbutoxybenzene;2-(3-methylbutyl)pyridine;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene;2-methylpropylcyclopropane;1-(2-methylpropyl)-4-methylsulfonylbenzene;2-(2-methylpropyl)oxolane;2-(2-methylpropyl)pyridine;4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazole;5-(2-methylpropyl)pyrrolidin-2-one;2-(2-methylpropyl)-1,3-thiazole
CID 158941244
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-2-yl)carbamate;2-chloro-4-propan-2-ylpyridine;1,3-difluoro-5-(2-methylpropyl)benzene;1,1-difluoro-2-propan-2-ylcyclopropane;(2S)-4,4-difluoro-2-propan-2-ylpyrrolidine;2,3-dimethylbutan-2-yl acetate;2,4-dimethylhexane;2,3-dimethylpentane;ethyl 4-methylpentanoate;bis(1-fluoro-4-(2-methylpropyl)benzene);methyl 4-methylpentanoate;1-methyl-2-(2-methylpropyl)benzene;2-methylpentan-3-ylbenzene;1-methyl-1-propan-2-ylcyclobutane;2-methyl-5-propan-2-ylpyridine;2-(2-methylpropyl)thiophene;2-nitro-5-propan-2-ylfuran;1,1,1,2,2-pentafluoro-3-methylbutane;3-propan-2-ylfuran;2-propan-2-ylthiophene;3-propan-2-ylthiophene;5-propan-2-yl-3-(trifluoromethyl)-1H-pyrazole;3,3,4,4-tetrafluoro-1-(2-methylpropyl)pyrrolidine;(2R)-1,1,1-trifluoro-2,4-dimethylpentane;1,1,1-trifluoro-4-methylpentan-2-amine;1,1,1-trifluoro-4-methylpentane-2,3-diol;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentane;1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)pentan-2-ol
CID 158927226
1-tert-butyl-4-(2-methylpropyl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-(2-methylpropyl)benzene;1-chloro-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;2-(3-methylbutyl)thiophene;1-methyl-3-(2-methylpropyl)benzene;1-methyl-4-(2-methylpropyl)benzene;methyl 3-propan-2-ylbenzoate;1-methyl-3-(4-propan-2-ylphenyl)benzene;1-phenoxy-2-propan-2-ylbenzene;1-phenoxy-4-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;[(1R,2S)-2-propan-2-ylcyclopropyl]benzene;6-propan-2-yl-1,4-dihydro-2,3-benzodioxine;2-(4-propan-2-ylphenoxy)aniline;5-(4-propan-2-ylphenyl)-1,3-oxazole;4-(4-propan-2-ylphenyl)-1,3-thiazole
CID 157079583
2,4-dimethylpentane;2,5-dimethyl-3-propan-2-ylfuran;1-fluoro-4-propan-2-ylbenzene;3-methylbutylbenzene;1-methyl-2-propan-2-ylpyrrole;propan-2-ylcyclohexane;2-propan-2-ylfuran;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;4-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene;2,2,3-trimethylbutane
CID 159029180
cumene;N,N-diethyl-3-methylbutan-1-amine;2,3-dimethylbutane;2,4-dimethylpentane;2,2-dimethylpropane;3-methylbutanamide;3-methylbutan-1-amine;2-methylbutane;3-methylbutan-1-ol;3-methylbutan-2-ol;3-methylbutylbenzene;3-methylbutylcyclohexane;4-methylpentanamide;2-methylpentane;2-methylpropane;2-methylpropan-1-ol;2-methylpropylbenzene;2-methylpropylcyclohexane;5-(2-methylpropyl)-1H-imidazole;4-(2-methylpropyl)phenol;2-propan-2-ylthiophene
CID 162057572
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamoyl]-4-methylideneazetidine-2-carboxylic acid;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[[(1S)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;(2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylic acid;ethyl (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,2-difluoro-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(2-chloro-4-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-3-[(6-chloro-3-pyridinyl)methyl]-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxoazetidine-2-carboxylate;ethyl (2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylate;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-3-ylmethyl)azetidine-2-carboxylic acid;(2S,3R)-1-[(3S)-3-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)butanoyl]-4-oxo-3-(pyridin-4-ylmethyl)azetidine-2-carboxylic acid;methane
CID 159887069
2,3-dimethylbutane;1-fluoro-2-(3-methylbutan-2-yl)benzene;1-fluoro-2-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;3-fluoro-2-(2-methylpropyl)pyridine;3-methylbutan-2-ylbenzene;2-(3-methylbutan-2-yl)pyridine;1-methyl-2-(2-methylpropyl)pyrrolidine;2-methylpropylbenzene;4-(2-methylpropyl)piperidine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;2-(2-methylpropyl)pyrrolidine;propan-2-ylcyclobutane;3-propan-2-yloxetane
CID 157324389
N-[1-[[1-[[1-cyclohexyl-5-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-methylamino]-3-naphthalen-1-yl-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 70441268
tert-butyl 4-methyl-3-oxopentanoate;2-chloro-4-fluoro-1-(2-methylpropyl)benzene;1-cyclohexyl-3-methylbutan-2-one;cyclohexylmethyl 2-methylpropanoate;1-cyclopropyl-2-methylpropan-1-one;N,N-diethyl-4-methylpentan-1-amine;1-ethyl-2-(2-methylpropyl)pyrrolidine;1-methoxy-4-(3-methylbutyl)benzene;3-methylbutan-2-one;3-methylbutylbenzene;2-(3-methylbutyl)pyridine;3-methyl-1-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one;4-methyl-3-oxopentanoic acid;4-methylpentylbenzene;4-(4-methylpentyl)morpholine;2-methylpropylcyclohexane;N-[4-(2-methylpropyl)cyclohexyl]naphthalene-1-sulfonamide;2-methylpropyl 2-methylpropanoate;2-(2-methylpropyl)oxolane;propane;N,N,3-trimethylbutan-1-amine
CID 158604751
4-chloro-2-nitro-1-propan-2-ylbenzene;2-chloro-N-propan-2-ylaniline;1-chloro-4-propan-2-ylnaphthalene;cumene;2,3-dimethylbutane;2,5-dimethylhexane;4-fluoro-N-propan-2-ylaniline;6-fluoro-2-propan-2-yl-1,3-benzothiazole;1-methoxy-3-methylbutane;1-methoxy-4-(3-methylbutyl)benzene;6-methoxy-2-propan-2-yl-1,3-benzothiazole;1-[(2S)-3-methylbutan-2-yl]naphthalene;3-methylbutylbenzene;4-methylmorpholine;(4-methyl-1-phenylpentyl)benzene;2-methyl-1-propan-2-ylnaphthalene;2-methylpropylbenzene;1-(2-methylpropyl)naphthalene;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;1-propan-2-yladamantane;N-propan-2-ylaniline;2-propan-2-yl-1,3-benzothiazole;propan-2-ylcyclohexane;1-propan-2-ylnaphthalene;2,2,3-trimethylbutane
CID 159425724
3-methylbutylbenzene;4-(3-methylbutyl)phenol;1-(3-methylbutyl)-4-phenylbenzene;2-methylpropylcyclohexane;4-(2-methylpropyl)-2,3-dihydro-1H-imidazole;3-(2-methylpropyl)-1H-indole;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;1-(2-methylpropyl)-4-phenylbenzene
CID 161443803

Frequently Asked Questions

What is the IUPAC name of cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?
The IUPAC name of cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane (CID 159480292) is cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane.
What is the SMILES notation for cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?
The canonical SMILES for cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane is C#CCC(C)C.C=CCC(C)C.CC.CC(C)C(=O)O.CC(C)C(C)(C)C.CC(C)C(C)C.CC(C)C(C)c1ccccc1.CC(C)C(Cl)(Cl)Cl.CC(C)C(F)(F)F.CC(C)C(F)(F)c1ccccc1.CC(C)C1CCCCC1.CC(C)CC(=O)O.CC(C)CC(C)(C)C.CC(C)CC1CC1.CC(C)CCc1ccccc1.CC(C)Cc1ccc(CN(C)C)o1.CC(C)Cc1ccc2ccccc2c1.CC(C)Cc1cccc2ccccc12.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.CC(C)Cc1ccoc1.CC(C)Cc1ccsc1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)c1ccccc1.CCC(C)C.CCC(c1ccccc1)C(C)C.CO.COC(=O)CC(C)C.COCc1ccccc1.
What is the InChIKey of cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?
The InChIKey is LWXMGQWPQVDJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16.C12H18.C11H19NO.2C11H16.C10H12F2.3C10H14.3C9H13N.C9H18.C9H12.2C8H12O.C8H10O.2C8H12S.C8H18.2C7H11NS.C7H14.C7H16.C6H12O2.C6H14.C6H12.C6H10.C5H10O2.C5H12.C4H7Cl3.C4H7F3.C4H8O2.C2H6.CH4O/c1-11(2)10-13-8-5-7-12-6-3-4-9-14(12)13;1-11(2)9-12-7-8-13-5-3-4-6-14(13)10-12;1-4-12(10(2)3)11-8-6-5-7-9-11;1-9(2)7-10-5-6-11(13-10)8-12(3)4;1-9(2)10(3)11-7-5-4-6-8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-8(2)10(11,12)9-6-4-3-5-7-9;3*1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-8(2)9-6-4-3-5-7-9;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-9-7-8-5-3-2-4-6-8;1-7(2)5-8-3-4-9-6-8;1-7(2)6-8-4-3-5-9-8;1-7(2)6-8(3,4)5;1-6(2)3-7-4-9-5-8-7;1-6(2)5-7-8-3-4-9-7;1-6(2)5-7-3-4-7;1-6(2)7(3,4)5;1-5(2)4-6(7)8-3;1-5(2)6(3)4;2*1-4-5-6(2)3;1-4(2)3-5(6)7;1-4-5(2)3;2*1-3(2)4(5,6)7;1-3(2)4(5)6;2*1-2/h3-9,11H,10H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-10,12H,4H2,1-3H3;5-6,9H,7-8H2,1-4H3;4-10H,1-3H3;3-7,10H,8-9H2,1-2H3;3-8H,1-2H3;3*3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;2-6H,7H2,1H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;7H,6H2,1-5H3;4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;6-7H,3-5H2,1-2H3;6H,1-5H3;5H,4H2,1-3H3;5-6H,1-4H3;4,6H,1,5H2,2-3H3;1,6H,5H2,2-3H3;4H,3H2,1-2H3,(H,6,7);5H,4H2,1-3H3;2*3H,1-2H3;3H,1-2H3,(H,5,6);1-2H3;2H,1H3.
What are the key properties of cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane?
cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane has a molecular weight of 4446.39 g/mol, XLogP of 88.85, 59 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;(1,1-difluoro-2-methylpropyl)benzene;2,3-dimethylbutane;N,N-dimethyl-1-[5-(2-methylpropyl)furan-2-yl]methanamine;ethane;methanol;methoxymethylbenzene;2-methylbutane;3-methylbutanoic acid;3-methylbutan-2-ylbenzene;3-methylbutylbenzene;methyl 3-methylbutanoate;2-methylpentan-3-ylbenzene;4-methylpent-1-ene;4-methylpent-1-yne;2-methylpropanoic acid;tris(2-methylpropylbenzene);2-methylpropylcyclopropane;2-(2-methylpropyl)furan;3-(2-methylpropyl)furan;1-(2-methylpropyl)naphthalene;2-(2-methylpropyl)naphthalene;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)-1,3-thiazole;4-(2-methylpropyl)-1,3-thiazole;2-(2-methylpropyl)thiophene;3-(2-methylpropyl)thiophene;propan-2-ylcyclohexane;1,1,1-trichloro-2-methylpropane;1,1,1-trifluoro-2-methylpropane;2,2,3-trimethylbutane;2,2,4-trimethylpentane is sourced from PubChem (CID 159480292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).