1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane

C82H136 — CID 159682983

IUPAC1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane
SMILESC.C.C.C.C.CC(C)(C)c1ccc(C2(C)CCCC2)cc1.CC(C)(C)c1ccc(C2CCCC2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.[2H]C([2H])([2H])C([2H])(c1ccc(C(C)(C)C)cc1)C([2H])([2H])C.[2H]C1(c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/3C16H24.C15H22.C14H22.5CH4/c1-15(2,3)13-7-9-14(10-8-13)16(4)11-5-6-12-16;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-10-8-13(9-11-14)12-6-4-5-7-12;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;;;;;/h7-10H,5-6,11-12H2,1-4H3;2*9-13H,4-8H2,1-3H3;8-12H,4-7H2,1-3H3;7-11H,6H2,1-5H3;5*1H4/i;13D;;;2D3,6D2,11D;;;;;
InChIKeyMVKYBSIMSACGAJ-YTAKKJSCSA-N
MW1129.03 g/mol
LogP27.20
Rot. Bonds7

About 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane

1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane (PubChem CID 159682983) has the molecular formula C82H136 and a molecular weight of 1129.03 g/mol. Its IUPAC name is 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane.

Molecular Properties

Compound Name1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane
PubChem CID159682983
Molecular FormulaC82H136
Molecular Weight1129.03 g/mol
Exact Mass1128.11
IUPAC Name1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane
SMILESC.C.C.C.C.CC(C)(C)c1ccc(C2(C)CCCC2)cc1.CC(C)(C)c1ccc(C2CCCC2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.[2H]C([2H])([2H])C([2H])(c1ccc(C(C)(C)C)cc1)C([2H])([2H])C.[2H]C1(c2ccc(C(C)(C)C)cc2)CCCCC1
InChIInChI=1S/3C16H24.C15H22.C14H22.5CH4/c1-15(2,3)13-7-9-14(10-8-13)16(4)11-5-6-12-16;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-10-8-13(9-11-14)12-6-4-5-7-12;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;;;;;/h7-10H,5-6,11-12H2,1-4H3;2*9-13H,4-8H2,1-3H3;8-12H,4-7H2,1-3H3;7-11H,6H2,1-5H3;5*1H4/i;13D;;;2D3,6D2,11D;;;;;
InChIKeyMVKYBSIMSACGAJ-YTAKKJSCSA-N
XLogP27.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.03
LogP ≤ 527.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane with MolForge

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Related Compounds

1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(2-deuteriopropan-2-yl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-propan-2-ylbenzene;1,4-ditert-butylbenzene;1,2,4-tritert-butylbenzene
CID 165049593
tert-butylbenzene;cyclohexylbenzene
CID 158089404
N-[(4-cyclobutylphenyl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830625
pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane
CID 158005852
[2-bromo-2-(4-tert-butylphenyl)ethyl]cycloheptane
CID 114458720
5-cyclohexyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167358000
1-(1-chloro-2,2-dimethylpropyl)-4-cyclohexylbenzene
CID 63432566
1-cyclohexyl-4-(1,1-difluoro-2-methylpropyl)benzene
CID 116841385
3-(4-cyclopropylphenyl)-3-methylpiperidine
CID 117050274
1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
5-cyclopentyl-1-methyl-2-[2-methyl-4-(1-methylcyclopentyl)phenyl]pyridin-1-ium
CID 167357792
1-amino-1-(4-cyclohexylphenyl)-2-methylpropan-2-ol
CID 116942075

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane?
The IUPAC name of 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane (CID 159682983) is 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane.
What is the SMILES notation for 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane?
The canonical SMILES for 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane is C.C.C.C.C.CC(C)(C)c1ccc(C2(C)CCCC2)cc1.CC(C)(C)c1ccc(C2CCCC2)cc1.CC(C)(C)c1ccc(C2CCCCC2)cc1.[2H]C([2H])([2H])C([2H])(c1ccc(C(C)(C)C)cc1)C([2H])([2H])C.[2H]C1(c2ccc(C(C)(C)C)cc2)CCCCC1.
What is the InChIKey of 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane?
The InChIKey is MVKYBSIMSACGAJ-YTAKKJSCSA-N. The full InChI is InChI=1S/3C16H24.C15H22.C14H22.5CH4/c1-15(2,3)13-7-9-14(10-8-13)16(4)11-5-6-12-16;2*1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-15(2,3)14-10-8-13(9-11-14)12-6-4-5-7-12;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;;;;;/h7-10H,5-6,11-12H2,1-4H3;2*9-13H,4-8H2,1-3H3;8-12H,4-7H2,1-3H3;7-11H,6H2,1-5H3;5*1H4/i;13D;;;2D3,6D2,11D;;;;;.
What are the key properties of 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane?
1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane has a molecular weight of 1129.03 g/mol, XLogP of 27.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-cyclohexylbenzene;1-tert-butyl-4-cyclopentylbenzene;1-tert-butyl-4-(1-deuteriocyclohexyl)benzene;1-tert-butyl-4-(1,1,1,2,3,3-hexadeuteriobutan-2-yl)benzene;1-tert-butyl-4-(1-methylcyclopentyl)benzene;methane is sourced from PubChem (CID 159682983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).