4-cyclohexylidenecyclohexene

C12H18 — CID 174411361

IUPAC4-cyclohexylidenecyclohexene
SMILESC1=CCC(=C2CCCCC2)CC1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3H,2,4-10H2
InChIKeyWSNOKCYZVAYBEX-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.99
Rot. Bonds

About 4-cyclohexylidenecyclohexene

4-cyclohexylidenecyclohexene (PubChem CID 174411361) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4-cyclohexylidenecyclohexene.

Molecular Properties

Compound Name4-cyclohexylidenecyclohexene
PubChem CID174411361
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name4-cyclohexylidenecyclohexene
SMILESC1=CCC(=C2CCCCC2)CC1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3H,2,4-10H2
InChIKeyWSNOKCYZVAYBEX-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.99
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-cyclohexylidenecyclohexene?
The IUPAC name of 4-cyclohexylidenecyclohexene (CID 174411361) is 4-cyclohexylidenecyclohexene.
What is the SMILES notation for 4-cyclohexylidenecyclohexene?
The canonical SMILES for 4-cyclohexylidenecyclohexene is C1=CCC(=C2CCCCC2)CC1.
What is the InChIKey of 4-cyclohexylidenecyclohexene?
The InChIKey is WSNOKCYZVAYBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3H,2,4-10H2.
What are the key properties of 4-cyclohexylidenecyclohexene?
4-cyclohexylidenecyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylidenecyclohexene is sourced from PubChem (CID 174411361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).