4-cyclohexylcyclohexene

C12H20 — CID 524573

IUPAC4-cyclohexylcyclohexene
SMILESC1=CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H20/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3,11-12H,2,4-10H2
InChIKeyNHEQDCVKZARUJD-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds1

About 4-cyclohexylcyclohexene

4-cyclohexylcyclohexene (PubChem CID 524573) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-cyclohexylcyclohexene.

Molecular Properties

Compound Name4-cyclohexylcyclohexene
PubChem CID524573
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-cyclohexylcyclohexene
SMILESC1=CCC(C2CCCCC2)CC1
InChIInChI=1S/C12H20/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3,11-12H,2,4-10H2
InChIKeyNHEQDCVKZARUJD-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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-cyclohexylcyclohexene?
The IUPAC name of 4-cyclohexylcyclohexene (CID 524573) is 4-cyclohexylcyclohexene.
What is the SMILES notation for 4-cyclohexylcyclohexene?
The canonical SMILES for 4-cyclohexylcyclohexene is C1=CCC(C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexylcyclohexene?
The InChIKey is NHEQDCVKZARUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3,11-12H,2,4-10H2.
What are the key properties of 4-cyclohexylcyclohexene?
4-cyclohexylcyclohexene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylcyclohexene is sourced from PubChem (CID 524573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).