1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene

C19H28 — CID 90932670

IUPAC1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene
SMILESC=CCCC(C)(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H28/c1-4-5-15-19(2,3)18-13-11-17(12-14-18)16-9-7-6-8-10-16/h4,11-14,16H,1,5-10,15H2,2-3H3
InChIKeyWJLFGJPSCQCGEM-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.98
Rot. Bonds5

About 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene

1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene (PubChem CID 90932670) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene
PubChem CID90932670
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene
SMILESC=CCCC(C)(C)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C19H28/c1-4-5-15-19(2,3)18-13-11-17(12-14-18)16-9-7-6-8-10-16/h4,11-14,16H,1,5-10,15H2,2-3H3
InChIKeyWJLFGJPSCQCGEM-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(bromomethyl)-2-(4-cyclohexylphenyl)-2-methylpropan-1-amine
CID 115262532
3-(4-cyclopentylphenyl)-3-methylbutanoic acid
CID 117368480
4-[2-(4-cyclohexylphenyl)-2-methylpropyl]phenol
CID 174733331
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1-cyclohexyl-4-(2-hydroperoxypropan-2-yl)benzene
CID 24843348
3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine
CID 116988059
2-[4-[(E)-2-(4-cyclohexylphenyl)ethenyl]phenyl]propan-2-amine
CID 89089279
1-cyclohexyl-4-ethenylbenzene
CID 21225537
(4-ethenylphenyl)cyclooctane
CID 19849973
2-[4-(4-cyclohexylphenyl)phenyl]-2-methylpropanoic acid
CID 11522654
2-(4-cyclobutylphenyl)butan-2-ol
CID 116505233
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene?
The IUPAC name of 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene (CID 90932670) is 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene.
What is the SMILES notation for 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene?
The canonical SMILES for 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene is C=CCCC(C)(C)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene?
The InChIKey is WJLFGJPSCQCGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-4-5-15-19(2,3)18-13-11-17(12-14-18)16-9-7-6-8-10-16/h4,11-14,16H,1,5-10,15H2,2-3H3.
What are the key properties of 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene?
1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene has a molecular weight of 256.43 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-methylhex-5-en-2-yl)benzene is sourced from PubChem (CID 90932670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).