2-(2-hexylidenecyclopentyl)ethylbenzene

C19H28 — CID 71320397

IUPAC2-(2-hexylidenecyclopentyl)ethylbenzene
SMILESCCCCCC=C1CCCC1CCc1ccccc1
InChIInChI=1S/C19H28/c1-2-3-4-8-12-18-13-9-14-19(18)16-15-17-10-6-5-7-11-17/h5-7,10-12,19H,2-4,8-9,13-16H2,1H3
InChIKeyWNHFEQVUSCCJHT-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.93
Rot. Bonds7

About 2-(2-hexylidenecyclopentyl)ethylbenzene

2-(2-hexylidenecyclopentyl)ethylbenzene (PubChem CID 71320397) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-(2-hexylidenecyclopentyl)ethylbenzene.

Molecular Properties

Compound Name2-(2-hexylidenecyclopentyl)ethylbenzene
PubChem CID71320397
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name2-(2-hexylidenecyclopentyl)ethylbenzene
SMILESCCCCCC=C1CCCC1CCc1ccccc1
InChIInChI=1S/C19H28/c1-2-3-4-8-12-18-13-9-14-19(18)16-15-17-10-6-5-7-11-17/h5-7,10-12,19H,2-4,8-9,13-16H2,1H3
InChIKeyWNHFEQVUSCCJHT-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2-hexylidenecyclopentyl)ethylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexylidenecyclopentyl)ethylbenzene?
The IUPAC name of 2-(2-hexylidenecyclopentyl)ethylbenzene (CID 71320397) is 2-(2-hexylidenecyclopentyl)ethylbenzene.
What is the SMILES notation for 2-(2-hexylidenecyclopentyl)ethylbenzene?
The canonical SMILES for 2-(2-hexylidenecyclopentyl)ethylbenzene is CCCCCC=C1CCCC1CCc1ccccc1.
What is the InChIKey of 2-(2-hexylidenecyclopentyl)ethylbenzene?
The InChIKey is WNHFEQVUSCCJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-2-3-4-8-12-18-13-9-14-19(18)16-15-17-10-6-5-7-11-17/h5-7,10-12,19H,2-4,8-9,13-16H2,1H3.
What are the key properties of 2-(2-hexylidenecyclopentyl)ethylbenzene?
2-(2-hexylidenecyclopentyl)ethylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexylidenecyclopentyl)ethylbenzene is sourced from PubChem (CID 71320397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).