1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene

C27H42 — CID 19988035

IUPAC1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
SMILESCCCc1ccc(CCC2=CCC(CCC3CCC(CC)CC3)CC2)cc1
InChIInChI=1S/C27H42/c1-3-5-23-10-12-25(13-11-23)16-17-27-20-18-26(19-21-27)15-14-24-8-6-22(4-2)7-9-24/h10-13,20,22,24,26H,3-9,14-19,21H2,1-2H3
InChIKeyIXCUCTXQKAMMCG-UHFFFAOYSA-N
MW366.63 g/mol
LogP8.29
Rot. Bonds9

About 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene

1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene (PubChem CID 19988035) has the molecular formula C27H42 and a molecular weight of 366.63 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
PubChem CID19988035
Molecular FormulaC27H42
Molecular Weight366.63 g/mol
Exact Mass366.33
IUPAC Name1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene
SMILESCCCc1ccc(CCC2=CCC(CCC3CCC(CC)CC3)CC2)cc1
InChIInChI=1S/C27H42/c1-3-5-23-10-12-25(13-11-23)16-17-27-20-18-26(19-21-27)15-14-24-8-6-22(4-2)7-9-24/h10-13,20,22,24,26H,3-9,14-19,21H2,1-2H3
InChIKeyIXCUCTXQKAMMCG-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene 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

1-[2-[4-[2-(4-decylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-fluorobenzene
CID 19988202
4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-methylbenzene
CID 19987944
1-butyl-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluorobenzene
CID 19987957
1-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-hexoxybenzene
CID 19987993
4-[2-[4-[2-(4-heptylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzonitrile
CID 19988290
1-[2-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]ethyl]-4-propylbenzene
CID 19987930
1-[2-(4-ethylcyclohex-3-en-1-yl)ethyl]-4-(4-ethylcyclohexyl)benzene
CID 139648653
1-[2-(4-decylcyclohexen-1-yl)ethyl]-4-fluorobenzene
CID 19987921
4-[2-[4-[2-(4-butylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-2-fluoro-1-hexylbenzene
CID 19987960
1-ethoxy-4-[2-(4-ethylcyclohexen-1-yl)ethyl]benzene
CID 19987971
1-butoxy-4-[2-(4-octylcyclohexen-1-yl)ethyl]benzene
CID 19988246
1-ethyl-2-fluoro-4-[2-[4-[2-(4-hexylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]benzene
CID 19988134

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene?
The IUPAC name of 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene (CID 19988035) is 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene.
What is the SMILES notation for 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene?
The canonical SMILES for 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene is CCCc1ccc(CCC2=CCC(CCC3CCC(CC)CC3)CC2)cc1.
What is the InChIKey of 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene?
The InChIKey is IXCUCTXQKAMMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42/c1-3-5-23-10-12-25(13-11-23)16-17-27-20-18-26(19-21-27)15-14-24-8-6-22(4-2)7-9-24/h10-13,20,22,24,26H,3-9,14-19,21H2,1-2H3.
What are the key properties of 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene?
1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene has a molecular weight of 366.63 g/mol, XLogP of 8.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexen-1-yl]ethyl]-4-propylbenzene is sourced from PubChem (CID 19988035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).