4-ethyl-1-(4-propylcyclohexyl)cyclohexene

C17H30 — CID 163567710

IUPAC4-ethyl-1-(4-propylcyclohexyl)cyclohexene
SMILESCCCC1CCC(C2=CCC(CC)CC2)CC1
InChIInChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h10,14-15,17H,3-9,11-13H2,1-2H3
InChIKeyFWPQUVZETPNZDW-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.73
Rot. Bonds4

About 4-ethyl-1-(4-propylcyclohexyl)cyclohexene

4-ethyl-1-(4-propylcyclohexyl)cyclohexene (PubChem CID 163567710) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 4-ethyl-1-(4-propylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name4-ethyl-1-(4-propylcyclohexyl)cyclohexene
PubChem CID163567710
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name4-ethyl-1-(4-propylcyclohexyl)cyclohexene
SMILESCCCC1CCC(C2=CCC(CC)CC2)CC1
InChIInChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h10,14-15,17H,3-9,11-13H2,1-2H3
InChIKeyFWPQUVZETPNZDW-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4-propylcyclohexyl)cyclohexene?
The IUPAC name of 4-ethyl-1-(4-propylcyclohexyl)cyclohexene (CID 163567710) is 4-ethyl-1-(4-propylcyclohexyl)cyclohexene.
What is the SMILES notation for 4-ethyl-1-(4-propylcyclohexyl)cyclohexene?
The canonical SMILES for 4-ethyl-1-(4-propylcyclohexyl)cyclohexene is CCCC1CCC(C2=CCC(CC)CC2)CC1.
What is the InChIKey of 4-ethyl-1-(4-propylcyclohexyl)cyclohexene?
The InChIKey is FWPQUVZETPNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h10,14-15,17H,3-9,11-13H2,1-2H3.
What are the key properties of 4-ethyl-1-(4-propylcyclohexyl)cyclohexene?
4-ethyl-1-(4-propylcyclohexyl)cyclohexene has a molecular weight of 234.43 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4-propylcyclohexyl)cyclohexene is sourced from PubChem (CID 163567710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).