4-(4-ethylcyclohexyl)-1-pentylcyclohexene

C19H34 — CID 543386

IUPAC4-(4-ethylcyclohexyl)-1-pentylcyclohexene
SMILESCCCCCC1=CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10,16,18-19H,3-9,11-15H2,1-2H3
InChIKeyAWAVRLOLQQEYTI-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.51
Rot. Bonds6

About 4-(4-ethylcyclohexyl)-1-pentylcyclohexene

4-(4-ethylcyclohexyl)-1-pentylcyclohexene (PubChem CID 543386) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-1-pentylcyclohexene.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-1-pentylcyclohexene
PubChem CID543386
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name4-(4-ethylcyclohexyl)-1-pentylcyclohexene
SMILESCCCCCC1=CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10,16,18-19H,3-9,11-15H2,1-2H3
InChIKeyAWAVRLOLQQEYTI-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.51
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 4-(4-ethylcyclohexyl)-1-pentylcyclohexene 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 4-(4-ethylcyclohexyl)-1-pentylcyclohexene?
The IUPAC name of 4-(4-ethylcyclohexyl)-1-pentylcyclohexene (CID 543386) is 4-(4-ethylcyclohexyl)-1-pentylcyclohexene.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-1-pentylcyclohexene?
The canonical SMILES for 4-(4-ethylcyclohexyl)-1-pentylcyclohexene is CCCCCC1=CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)-1-pentylcyclohexene?
The InChIKey is AWAVRLOLQQEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h10,16,18-19H,3-9,11-15H2,1-2H3.
What are the key properties of 4-(4-ethylcyclohexyl)-1-pentylcyclohexene?
4-(4-ethylcyclohexyl)-1-pentylcyclohexene has a molecular weight of 262.48 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-1-pentylcyclohexene is sourced from PubChem (CID 543386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).