tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene

C234H347F4N11O16 — CID 158613797

IUPACtris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
SMILESCC(C)C(C)C(=O)O.CC(C)CCCCn1ccnc1.CC(C)CCCn1ccnc1.CC(C)CCn1ccnc1.CC(C)c1c(F)cccc1F.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1cccc(C(C)C)c1C(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1CC(=O)O.CC(C)c1ccccn1.CC(C)c1ccncc1.CCCC(C)C.CCc1cccc(C(C)C)c1.CCc1cccc(CC)c1C(C)C.COc1cc(C(C)C)cc(OC)c1OC.COc1cc(C)cc(C)c1C(C)C.COc1cccc(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1cccnc1C(C)C.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C15H24.C13H20.C12H18O3.C12H18O.2C12H18.C11H14O2.C11H16O.2C11H16.C10H12F2.C10H18N2.C10H14.C9H10F2.C9H12N2O.C9H16N2.C9H13N.C9H12.C8H14N2.2C8H11N.C6H12O2.C6H14.3CO2/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-8(2)9-6-10(13-3)12(15-5)11(7-9)14-4;1-8(2)12-10(4)6-9(3)7-11(12)13-5;1-8(2)12-10(4)6-9(3)7-11(12)5;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-4-3-5-9(10)7-11(12)13;1-8(2)11-9(3)6-5-7-10(11)12-4;1-8(2)11-9(3)6-5-7-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;1-6(2)10-8(11)4-7(3)5-9(10)12;1-10(2)5-3-4-7-12-8-6-11-9-12;1-8(2)10-6-4-5-9(3)7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-3-4-8(9(10)12)11-5-7;1-9(2)4-3-6-11-7-5-10-8-11;1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-4(2)5(3)6(7)8;1-4-5-6(2)3;3*2-1-3/h7-12H,1-6H3;7-10H,5-6H2,1-4H3;6-8H,1-5H3;6-8H,1-5H3;6-8H,1-5H3;5-10H,1-4H3;3-6,8H,7H2,1-2H3,(H,12,13);5-8H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-6H,1-3H3;6,8-10H,3-5,7H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);5,7-9H,3-4,6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;4,6-8H,3,5H2,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3,(H,7,8);6H,4-5H2,1-3H3;;;
InChIKeyHXDPJSOWJDMBNL-UHFFFAOYSA-N
MW3646.40 g/mol
LogP64.95
Rot. Bonds48

About tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene

tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene (PubChem CID 158613797) has the molecular formula C234H347F4N11O16 and a molecular weight of 3646.40 g/mol. Its IUPAC name is tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene.

Molecular Properties

Compound Nametris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
PubChem CID158613797
Molecular FormulaC234H347F4N11O16
Molecular Weight3646.40 g/mol
Exact Mass3643.66
IUPAC Nametris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
SMILESCC(C)C(C)C(=O)O.CC(C)CCCCn1ccnc1.CC(C)CCCn1ccnc1.CC(C)CCn1ccnc1.CC(C)c1c(F)cccc1F.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1cccc(C(C)C)c1C(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1CC(=O)O.CC(C)c1ccccn1.CC(C)c1ccncc1.CCCC(C)C.CCc1cccc(C(C)C)c1.CCc1cccc(CC)c1C(C)C.COc1cc(C(C)C)cc(OC)c1OC.COc1cc(C)cc(C)c1C(C)C.COc1cccc(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1cccnc1C(C)C.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C15H24.C13H20.C12H18O3.C12H18O.2C12H18.C11H14O2.C11H16O.2C11H16.C10H12F2.C10H18N2.C10H14.C9H10F2.C9H12N2O.C9H16N2.C9H13N.C9H12.C8H14N2.2C8H11N.C6H12O2.C6H14.3CO2/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-8(2)9-6-10(13-3)12(15-5)11(7-9)14-4;1-8(2)12-10(4)6-9(3)7-11(12)13-5;1-8(2)12-10(4)6-9(3)7-11(12)5;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-4-3-5-9(10)7-11(12)13;1-8(2)11-9(3)6-5-7-10(11)12-4;1-8(2)11-9(3)6-5-7-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;1-6(2)10-8(11)4-7(3)5-9(10)12;1-10(2)5-3-4-7-12-8-6-11-9-12;1-8(2)10-6-4-5-9(3)7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-3-4-8(9(10)12)11-5-7;1-9(2)4-3-6-11-7-5-10-8-11;1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-4(2)5(3)6(7)8;1-4-5-6(2)3;3*2-1-3/h7-12H,1-6H3;7-10H,5-6H2,1-4H3;6-8H,1-5H3;6-8H,1-5H3;6-8H,1-5H3;5-10H,1-4H3;3-6,8H,7H2,1-2H3,(H,12,13);5-8H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-6H,1-3H3;6,8-10H,3-5,7H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);5,7-9H,3-4,6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;4,6-8H,3,5H2,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3,(H,7,8);6H,4-5H2,1-3H3;;;
InChIKeyHXDPJSOWJDMBNL-UHFFFAOYSA-N
XLogP64.95
TPSA371.28 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003646.40
LogP ≤ 564.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene with MolForge

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Launch Full Analysis

Related Compounds

4-(3,4-Dimethoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;methane;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;1-[4-(4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinolin-2-yl]ethanone
CID 158340080
4-(3,4-dimethoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2R)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[4-[(2S)-1,1,1-trifluoro-2-hydroxybutan-2-yl]imidazol-1-yl]methyl]quinoline-2-carboxamide;4-(4-methoxy-3-methylphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 159312912
Tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,2-dimethoxy-3-methyl-5-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;methane;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;methyl 2,3-dimethylbutanoate;1-(5-methylhexyl)imidazole;1-(7-methyloctyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1,3,5-trifluoro-2-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
CID 157352297
tris(carbon dioxide);cumene;2,3-dimethylbutan-1-amine;N-ethyl-4-methylpentan-1-amine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;3-methylbutan-1-amine;1-(3-methylbutyl)imidazole;2-methylhexane;1-(5-methylhexyl)imidazole;bis(2-methyloctane);1-(7-methyloctyl)imidazole;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-methylpropylcyclopentane;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;N,N,3-trimethylbutan-1-amine;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 158329551
tris(carbon dioxide);cumene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;N-ethyl-4-methylpentan-1-amine;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;1-(7-methyloctyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;2-methyl-5-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;N,N,3-trimethylbutan-1-amine;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 159641429
Tris(carbon dioxide);cumene;cyclohexane;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;methane;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;2-methyl-5-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;3-propan-2-ylbenzoic acid;2-(2-propan-2-ylphenyl)acetic acid;2-(3-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene
CID 160260571

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene?
The IUPAC name of tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene (CID 158613797) is tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene.
What is the SMILES notation for tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene?
The canonical SMILES for tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene is CC(C)C(C)C(=O)O.CC(C)CCCCn1ccnc1.CC(C)CCCn1ccnc1.CC(C)CCn1ccnc1.CC(C)c1c(F)cccc1F.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1cccc(C(C)C)c1C(C)C.CC(C)c1ccccc1.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1CC(=O)O.CC(C)c1ccccn1.CC(C)c1ccncc1.CCCC(C)C.CCc1cccc(C(C)C)c1.CCc1cccc(CC)c1C(C)C.COc1cc(C(C)C)cc(OC)c1OC.COc1cc(C)cc(C)c1C(C)C.COc1cccc(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1cc(F)c(C(C)C)c(F)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C)c1C(C)C.Cc1cccnc1C(C)C.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene?
The InChIKey is HXDPJSOWJDMBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C13H20.C12H18O3.C12H18O.2C12H18.C11H14O2.C11H16O.2C11H16.C10H12F2.C10H18N2.C10H14.C9H10F2.C9H12N2O.C9H16N2.C9H13N.C9H12.C8H14N2.2C8H11N.C6H12O2.C6H14.3CO2/c1-10(2)13-8-7-9-14(11(3)4)15(13)12(5)6;1-5-11-8-7-9-12(6-2)13(11)10(3)4;1-8(2)9-6-10(13-3)12(15-5)11(7-9)14-4;1-8(2)12-10(4)6-9(3)7-11(12)13-5;1-8(2)12-10(4)6-9(3)7-11(12)5;1-9(2)11-7-5-6-8-12(11)10(3)4;1-8(2)10-6-4-3-5-9(10)7-11(12)13;1-8(2)11-9(3)6-5-7-10(11)12-4;1-8(2)11-9(3)6-5-7-10(11)4;1-4-10-6-5-7-11(8-10)9(2)3;1-6(2)10-8(11)4-7(3)5-9(10)12;1-10(2)5-3-4-7-12-8-6-11-9-12;1-8(2)10-6-4-5-9(3)7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)7-3-4-8(9(10)12)11-5-7;1-9(2)4-3-6-11-7-5-10-8-11;1-7(2)9-8(3)5-4-6-10-9;1-8(2)9-6-4-3-5-7-9;1-8(2)3-5-10-6-4-9-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-9-8;1-4(2)5(3)6(7)8;1-4-5-6(2)3;3*2-1-3/h7-12H,1-6H3;7-10H,5-6H2,1-4H3;6-8H,1-5H3;6-8H,1-5H3;6-8H,1-5H3;5-10H,1-4H3;3-6,8H,7H2,1-2H3,(H,12,13);5-8H,1-4H3;5-8H,1-4H3;5-9H,4H2,1-3H3;4-6H,1-3H3;6,8-10H,3-5,7H2,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-6H,1-2H3,(H2,10,12);5,7-9H,3-4,6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;4,6-8H,3,5H2,1-2H3;2*3-7H,1-2H3;4-5H,1-3H3,(H,7,8);6H,4-5H2,1-3H3;;;.
What are the key properties of tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene?
tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene has a molecular weight of 3646.40 g/mol, XLogP of 64.95, 48 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tris(carbon dioxide);cumene;1,3-diethyl-2-propan-2-ylbenzene;1,3-difluoro-5-methyl-2-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;2,3-dimethylbutanoic acid;1,3-dimethyl-2-propan-2-ylbenzene;1,2-di(propan-2-yl)benzene;1-ethyl-3-propan-2-ylbenzene;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;1-methoxy-3-methyl-2-propan-2-ylbenzene;1-(3-methylbutyl)imidazole;1-(5-methylhexyl)imidazole;2-methylpentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;3-methyl-2-propan-2-ylpyridine;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxamide;1,2,3-trimethoxy-5-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,2,3-tri(propan-2-yl)benzene is sourced from PubChem (CID 158613797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).