1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene

C25H38 — CID 56997239

IUPAC1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene
SMILESCCCC1CCC(C(CC2CC=CCC2)c2ccc(CC)cc2)CC1
InChIInChI=1S/C25H38/c1-3-8-21-13-17-24(18-14-21)25(19-22-9-6-5-7-10-22)23-15-11-20(4-2)12-16-23/h5-6,11-12,15-16,21-22,24-25H,3-4,7-10,13-14,17-19H2,1-2H3
InChIKeyOOHBYHCIGHNZOI-UHFFFAOYSA-N
MW338.58 g/mol
LogP7.69
Rot. Bonds7

About 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene

1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene (PubChem CID 56997239) has the molecular formula C25H38 and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene
PubChem CID56997239
Molecular FormulaC25H38
Molecular Weight338.58 g/mol
Exact Mass338.30
IUPAC Name1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene
SMILESCCCC1CCC(C(CC2CC=CCC2)c2ccc(CC)cc2)CC1
InChIInChI=1S/C25H38/c1-3-8-21-13-17-24(18-14-21)25(19-22-9-6-5-7-10-22)23-15-11-20(4-2)12-16-23/h5-6,11-12,15-16,21-22,24-25H,3-4,7-10,13-14,17-19H2,1-2H3
InChIKeyOOHBYHCIGHNZOI-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-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 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene?
The IUPAC name of 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene (CID 56997239) is 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene.
What is the SMILES notation for 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene?
The canonical SMILES for 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene is CCCC1CCC(C(CC2CC=CCC2)c2ccc(CC)cc2)CC1.
What is the InChIKey of 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene?
The InChIKey is OOHBYHCIGHNZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38/c1-3-8-21-13-17-24(18-14-21)25(19-22-9-6-5-7-10-22)23-15-11-20(4-2)12-16-23/h5-6,11-12,15-16,21-22,24-25H,3-4,7-10,13-14,17-19H2,1-2H3.
What are the key properties of 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene?
1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene has a molecular weight of 338.58 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene is sourced from PubChem (CID 56997239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).