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

C255H405F5N12O14 — CID 157352297

IUPACtris(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
SMILESC.C.C.C.C.C.C.C.C.CC(C)CCCCCCn1ccnc1.CC(C)CCCCn1ccnc1.CC(C)CCCn1ccnc1.CC(C)CCn1ccnc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1c(F)cccc1F.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.COC(=O)C(C)C(C)C.COc1cc(C(C)C)cc(C)c1OC.COc1cc(C)cc(C)c1C(C)C.COc1cccc(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1ccc(C(C)C)cn1.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.C12H22N2.C12H18O2.C12H18O.2C12H18.C11H14O2.C11H16O.2C11H16.C10H18N2.C10H14.C9H9F3.C9H10F2.C9H16N2.2C9H13N.C9H12.C8H14N2.2C8H11N.C7H14O2.C6H14.3CO2.9CH4/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;1-12(2)7-5-3-4-6-9-14-10-8-13-11-14;1-8(2)10-6-9(3)12(14-5)11(7-10)13-4;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;1-10(2)5-3-4-7-12-8-6-11-9-12;1-8(2)10-6-4-5-9(3)7-10;1-5(2)9-7(11)3-6(10)4-8(9)12;1-6(2)9-7(10)4-3-5-8(9)11;1-9(2)4-3-6-11-7-5-10-8-11;1-7(2)9-5-4-8(3)10-6-9;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;1-5(2)6(3)7(8)9-4;1-4-5-6(2)3;3*2-1-3;;;;;;;;;/h7-12H,1-6H3;7-10H,5-6H2,1-4H3;8,10-12H,3-7,9H2,1-2H3;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;6,8-10H,3-5,7H2,1-2H3;4-8H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;5,7-9H,3-4,6H2,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;4,6-8H,3,5H2,1-2H3;2*3-7H,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3;;;;9*1H4
InChIKeyBHRHZFGTISJTSZ-UHFFFAOYSA-N
MW3958.10 g/mol
LogP75.59
Rot. Bonds53

About 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

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 (PubChem CID 157352297) has the molecular formula C255H405F5N12O14 and a molecular weight of 3958.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris(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
PubChem CID157352297
Molecular FormulaC255H405F5N12O14
Molecular Weight3958.10 g/mol
Exact Mass3955.13
IUPAC Nametris(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
SMILESC.C.C.C.C.C.C.C.C.CC(C)CCCCCCn1ccnc1.CC(C)CCCCn1ccnc1.CC(C)CCCn1ccnc1.CC(C)CCn1ccnc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1c(F)cccc1F.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.COC(=O)C(C)C(C)C.COc1cc(C(C)C)cc(C)c1OC.COc1cc(C)cc(C)c1C(C)C.COc1cccc(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1ccc(C(C)C)cn1.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.C12H22N2.C12H18O2.C12H18O.2C12H18.C11H14O2.C11H16O.2C11H16.C10H18N2.C10H14.C9H9F3.C9H10F2.C9H16N2.2C9H13N.C9H12.C8H14N2.2C8H11N.C7H14O2.C6H14.3CO2.9CH4/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;1-12(2)7-5-3-4-6-9-14-10-8-13-11-14;1-8(2)10-6-9(3)12(14-5)11(7-10)13-4;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;1-10(2)5-3-4-7-12-8-6-11-9-12;1-8(2)10-6-4-5-9(3)7-10;1-5(2)9-7(11)3-6(10)4-8(9)12;1-6(2)9-7(10)4-3-5-8(9)11;1-9(2)4-3-6-11-7-5-10-8-11;1-7(2)9-5-4-8(3)10-6-9;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;1-5(2)6(3)7(8)9-4;1-4-5-6(2)3;3*2-1-3;;;;;;;;;/h7-12H,1-6H3;7-10H,5-6H2,1-4H3;8,10-12H,3-7,9H2,1-2H3;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;6,8-10H,3-5,7H2,1-2H3;4-8H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;5,7-9H,3-4,6H2,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;4,6-8H,3,5H2,1-2H3;2*3-7H,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3;;;;9*1H4
InChIKeyBHRHZFGTISJTSZ-UHFFFAOYSA-N
XLogP75.59
TPSA325.78 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds53
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003958.10
LogP ≤ 575.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

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-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 with MolForge

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Related Compounds

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CID 118021434
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CID 157310396
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
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2-(1,1-Difluoroethyl)-1-ethoxy-4-propan-2-ylbenzene;1-(1,1-difluoroethyl)-2-methyl-4-propan-2-ylbenzene;2,4-di(propan-2-yl)phenol;1-ethyl-4-(2-methyl-4-propan-2-ylphenyl)imidazole;2-ethynyl-5-(2-methyl-4-propan-2-ylphenyl)pyridine;1-(1-fluoroethoxy)-2-propan-2-ylbenzene;1-(2-fluoro-2-methylpropoxy)-2-methoxy-4-propan-2-ylbenzene;2-fluoro-1-phenyl-4-propan-2-ylbenzene;bis(2-methoxy-1-methyl-3-propan-2-ylbenzene);1-(2-methoxyphenyl)-2-methyl-4-propan-2-ylbenzene;2-methoxy-1-phenyl-4-propan-2-ylbenzene;2-methyl-4-(2-methyl-4-propan-2-ylphenyl)pyridine;2-phenyl-5-propan-2-ylphenol
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2-[3-[1-[(4-acetylphenyl)methyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[2-(3,4-dimethoxyphenyl)ethyl]imidazol-2-yl]propyl]-6-methylpyridine-4-carboxylic acid;2-[3-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]propyl]-6-(hydroxymethyl)pyridine-4-carboxylic acid;2-(hydroxymethyl)-6-[(3S)-3-(hydroxymethyl)-5-methylhexyl]pyridine-4-carboxylic acid;2-[(3S)-3-(hydroxymethyl)-5-methylhexyl]-6-methylpyridine-4-carboxylic acid;2-methyl-6-[3-[1-(2-methylpropyl)imidazol-2-yl]propyl]pyridine-4-carboxylic acid
CID 157368780
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-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
tris(carbon dioxide);cumene;2,3-dimethylpentane;N-ethyl-4-methylpentan-1-amine;1-ethyl-3-propan-2-ylbenzene;1-ethyl-4-propan-2-ylbenzene;methane;1-methoxy-3,5-dimethyl-2-propan-2-ylbenzene;3-methylbutylcyclopentane;1-(3-methylbutyl)imidazole;2-methylhexane;1-(5-methylhexyl)imidazole;tris(2-methyloctane);1-(7-methyloctyl)imidazole;2-methylpentane;4-methylpentylcyclopentane;1-(4-methylpentyl)imidazole;1-methyl-3-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;3-methyl-2-propan-2-ylpyridine;2-methylpropylcyclopentane;2-(2-propan-2-ylphenyl)acetic acid;2-propan-2-ylpyridine;N,N,3-trimethylbutan-1-amine;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 159210014
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-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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.CC(C)CCCCCCn1ccnc1.CC(C)CCCCn1ccnc1.CC(C)CCCn1ccnc1.CC(C)CCn1ccnc1.CC(C)c1c(F)cc(F)cc1F.CC(C)c1c(F)cccc1F.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.COC(=O)C(C)C(C)C.COc1cc(C(C)C)cc(C)c1OC.COc1cc(C)cc(C)c1C(C)C.COc1cccc(C)c1C(C)C.Cc1cc(C)c(C(C)C)c(C)c1.Cc1ccc(C(C)C)cn1.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-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?
The InChIKey is BHRHZFGTISJTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C13H20.C12H22N2.C12H18O2.C12H18O.2C12H18.C11H14O2.C11H16O.2C11H16.C10H18N2.C10H14.C9H9F3.C9H10F2.C9H16N2.2C9H13N.C9H12.C8H14N2.2C8H11N.C7H14O2.C6H14.3CO2.9CH4/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;1-12(2)7-5-3-4-6-9-14-10-8-13-11-14;1-8(2)10-6-9(3)12(14-5)11(7-10)13-4;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;1-10(2)5-3-4-7-12-8-6-11-9-12;1-8(2)10-6-4-5-9(3)7-10;1-5(2)9-7(11)3-6(10)4-8(9)12;1-6(2)9-7(10)4-3-5-8(9)11;1-9(2)4-3-6-11-7-5-10-8-11;1-7(2)9-5-4-8(3)10-6-9;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;1-5(2)6(3)7(8)9-4;1-4-5-6(2)3;3*2-1-3;;;;;;;;;/h7-12H,1-6H3;7-10H,5-6H2,1-4H3;8,10-12H,3-7,9H2,1-2H3;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;6,8-10H,3-5,7H2,1-2H3;4-8H,1-3H3;3-5H,1-2H3;3-6H,1-2H3;5,7-9H,3-4,6H2,1-2H3;2*4-7H,1-3H3;3-8H,1-2H3;4,6-8H,3,5H2,1-2H3;2*3-7H,1-2H3;5-6H,1-4H3;6H,4-5H2,1-3H3;;;;9*1H4.
What are the key properties of 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?
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 has a molecular weight of 3958.10 g/mol, XLogP of 75.59, 53 rotatable bonds, 1 hydrogen bond donors, and 25 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-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 is sourced from PubChem (CID 157352297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).