1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene

C19H29Cl — CID 107181911

IUPAC1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Cl)C2CCCCC2(C)C)cc1
InChIInChI=1S/C19H29Cl/c1-14(2)13-15-8-10-16(11-9-15)18(20)17-7-5-6-12-19(17,3)4/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyWECUZGZXMCJXJD-UHFFFAOYSA-N
MW292.89 g/mol
LogP6.38
Rot. Bonds4

About 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene

1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene (PubChem CID 107181911) has the molecular formula C19H29Cl and a molecular weight of 292.89 g/mol. Its IUPAC name is 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
PubChem CID107181911
Molecular FormulaC19H29Cl
Molecular Weight292.89 g/mol
Exact Mass292.20
IUPAC Name1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
SMILESCC(C)Cc1ccc(C(Cl)C2CCCCC2(C)C)cc1
InChIInChI=1S/C19H29Cl/c1-14(2)13-15-8-10-16(11-9-15)18(20)17-7-5-6-12-19(17,3)4/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyWECUZGZXMCJXJD-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.89
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107188347
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,2-dimethyl-3H-1-benzofuran
CID 107182362
4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene
CID 107182565
1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
CID 107183554
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629
5-[chloro-(2,2-dimethylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 107181961
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
6-[chloro-(2,2-dimethylcyclohexyl)methyl]-3H-1,3-benzoxazol-2-one
CID 107182046
N-[(2,2-dimethylcyclohexyl)-(4-propylphenyl)methyl]ethanamine
CID 107177413
1-(2,2-dimethylcyclohexyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 107179500
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63822061

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene?
The IUPAC name of 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene (CID 107181911) is 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene is CC(C)Cc1ccc(C(Cl)C2CCCCC2(C)C)cc1.
What is the InChIKey of 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene?
The InChIKey is WECUZGZXMCJXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl/c1-14(2)13-15-8-10-16(11-9-15)18(20)17-7-5-6-12-19(17,3)4/h8-11,14,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene?
1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene has a molecular weight of 292.89 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene is sourced from PubChem (CID 107181911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).