cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine

C221H340N4O4S — CID 160723818

IUPACcumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine
SMILESC.C.C.C.C.C.C.C.CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)C1CC1c1ccccc1.CC(C)C1CCCCC1.CC(C)C1Cc2ccccc2C1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cccs1.CC(C)CCc1ccncc1.CC(C)N1CCCCC1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/2C12H16.C11H15NO.C11H14O.2C11H16.2C10H15N.C10H12O2.8C10H14.C9H14S.C9H18.C9H12.C8H17N.8CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)11-6-5-9(3)10(4)7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;6*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)5-6-9-4-3-7-10-9;3*1-8(2)9-6-4-3-5-7-9;;;;;;;;/h3-6,9,12H,7-8H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;8*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,3-7H2,1-2H3;8*1H4
InChIKeyRTLFIKLJZNLFDH-UHFFFAOYSA-N
MW3149.24 g/mol
LogP68.15
Rot. Bonds32

About cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine

cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine (PubChem CID 160723818) has the molecular formula C221H340N4O4S and a molecular weight of 3149.24 g/mol. Its IUPAC name is cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine.

Molecular Properties

Compound Namecumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine
PubChem CID160723818
Molecular FormulaC221H340N4O4S
Molecular Weight3149.24 g/mol
Exact Mass3146.62
IUPAC Namecumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine
SMILESC.C.C.C.C.C.C.C.CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)C1CC1c1ccccc1.CC(C)C1CCCCC1.CC(C)C1Cc2ccccc2C1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cccs1.CC(C)CCc1ccncc1.CC(C)N1CCCCC1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/2C12H16.C11H15NO.C11H14O.2C11H16.2C10H15N.C10H12O2.8C10H14.C9H14S.C9H18.C9H12.C8H17N.8CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)11-6-5-9(3)10(4)7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;6*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)5-6-9-4-3-7-10-9;3*1-8(2)9-6-4-3-5-7-9;;;;;;;;/h3-6,9,12H,7-8H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;8*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,3-7H2,1-2H3;8*1H4
InChIKeyRTLFIKLJZNLFDH-UHFFFAOYSA-N
XLogP68.15
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms230
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003149.24
LogP ≤ 568.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine with MolForge

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Related Compounds

cumene;1-cyclohexyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane;bis(3-methylbutylbenzene);3-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;1-(4-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-ylpiperidine;4-propan-2-yl-N-prop-1-en-2-ylaniline
CID 157999454
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-methylphenyl)prop-2-enamide;(E)-3-(1,3-benzodioxol-5-yl)-N-[3-[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]phenyl]prop-2-enamide;(E)-4-[4-[2-(2-hydroxyphenyl)-2-oxoethyl]phenyl]but-3-en-2-one;(E)-4-oxo-4-[4-[(E)-3-oxobut-1-enyl]anilino]but-2-enoic acid;(E)-4-pyridin-3-ylbut-3-en-2-one;(E)-4-pyridin-4-ylbut-3-en-2-one;(E)-4-thiophen-2-ylbut-3-en-2-one;(E)-4-thiophen-3-ylbut-3-en-2-one
CID 158023122
1-Tert-butylazetidin-2-one;5-tert-butyl-1,3-benzodioxole;2-tert-butylfuran;1-tert-butyl-4-methoxybenzene;1-tert-butylpiperidine;1-(3,3-dimethylbut-1-ynyl)cyclohexene;3,3-dimethylbut-1-ynylcyclopropane;2-(3,3-dimethylbut-1-ynyl)-1,4-dimethylbenzene;1-(3,3-dimethylbut-1-ynyl)-2-fluoro-4-methylbenzene;bis(1-(3,3-dimethylbut-1-ynyl)-4-methylbenzene);2-(3,3-dimethylbut-1-ynyl)pyridine;2-(3,3-dimethylbut-1-ynyl)thiophene
CID 158947768
cumene;1-cyclohexyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane;bis(3-methylbutylbenzene);4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;1-(4-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-ylpiperidine;4-propan-2-yl-N-prop-1-en-2-ylaniline
CID 159015091
cumene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-dimethoxy-2-(3-methylbutyl)benzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;methane;bis(3-methylbutylbenzene);4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;bis(N-(4-propan-2-ylphenyl)acetamide);1-(4-propan-2-ylphenyl)ethanone;1,2,3-trimethylbenzene
CID 159647020
4-tert-butyl-N-prop-1-en-2-ylaniline;cumene;1,2-dimethyl-4-propan-2-ylbenzene;bis(3-methylbutylbenzene);3-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine
CID 159761554
cumene;1-cyclohexyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);1-phenoxy-4-propan-2-ylbenzene;5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;1-(4-propan-2-ylphenyl)ethanone;1-(4-propan-2-ylphenyl)piperidine;4-(4-propan-2-ylphenyl)-1,3-thiazole;1-propan-2-ylpiperidine;4-propan-2-yl-N-prop-1-en-2-ylaniline
CID 160285722

Frequently Asked Questions

What is the IUPAC name of cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine?
The IUPAC name of cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine (CID 160723818) is cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine.
What is the SMILES notation for cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine?
The canonical SMILES for cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine is C.C.C.C.C.C.C.C.CC(=O)Nc1ccc(C(C)C)cc1.CC(=O)c1ccc(C(C)C)cc1.CC(C)C1CC1c1ccccc1.CC(C)C1CCCCC1.CC(C)C1Cc2ccccc2C1.CC(C)CCc1ccccc1.CC(C)CCc1cccnc1.CC(C)CCc1cccs1.CC(C)CCc1ccncc1.CC(C)N1CCCCC1.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccccc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine?
The InChIKey is RTLFIKLJZNLFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H16.C11H15NO.C11H14O.2C11H16.2C10H15N.C10H12O2.8C10H14.C9H14S.C9H18.C9H12.C8H17N.8CH4/c1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-9(2)11-8-12(11)10-6-4-3-5-7-10;1-8(2)10-4-6-11(7-5-10)12-9(3)13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-8(2)11-6-5-9(3)10(4)7-11;1-10(2)8-9-11-6-4-3-5-7-11;1-9(2)3-4-10-5-7-11-8-6-10;1-9(2)5-6-10-4-3-7-11-8-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;6*1-8(2)10-6-4-9(3)5-7-10;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-8(2)5-6-9-4-3-7-10-9;3*1-8(2)9-6-4-3-5-7-9;;;;;;;;/h3-6,9,12H,7-8H2,1-2H3;3-7,9,11-12H,8H2,1-2H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;5-8H,1-4H3;3-7,10H,8-9H2,1-2H3;5-9H,3-4H2,1-2H3;3-4,7-9H,5-6H2,1-2H3;3-5,7H,6H2,1-2H3;8*4-8H,1-3H3;3-4,7-8H,5-6H2,1-2H3;8-9H,3-7H2,1-2H3;3-8H,1-2H3;8H,3-7H2,1-2H3;8*1H4.
What are the key properties of cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine?
cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine has a molecular weight of 3149.24 g/mol, XLogP of 68.15, 32 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1,2-dimethyl-4-propan-2-ylbenzene;methane;3-methylbutylbenzene;3-(3-methylbutyl)pyridine;4-(3-methylbutyl)pyridine;2-(3-methylbutyl)thiophene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;hexakis(1-methyl-4-propan-2-ylbenzene);5-propan-2-yl-1,3-benzodioxole;propan-2-ylcyclohexane;(2-propan-2-ylcyclopropyl)benzene;2-propan-2-yl-2,3-dihydro-1H-indene;N-(4-propan-2-ylphenyl)acetamide;1-(4-propan-2-ylphenyl)ethanone;1-propan-2-ylpiperidine is sourced from PubChem (CID 160723818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).