cyclohexanone;cyclohexene

C12H20O — CID 67659841

IUPACcyclohexanone;cyclohexene
SMILESC1=CCCCC1.O=C1CCCCC1
InChIInChI=1S/C6H10O.C6H10/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H2;1-2H,3-6H2
InChIKeyYXIXIZVWHXLIMS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.64
Rot. Bonds

About cyclohexanone;cyclohexene

cyclohexanone;cyclohexene (PubChem CID 67659841) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is cyclohexanone;cyclohexene.

Molecular Properties

Compound Namecyclohexanone;cyclohexene
PubChem CID67659841
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namecyclohexanone;cyclohexene
SMILESC1=CCCCC1.O=C1CCCCC1
InChIInChI=1S/C6H10O.C6H10/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H2;1-2H,3-6H2
InChIKeyYXIXIZVWHXLIMS-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexanone;cyclohexene 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 cyclohexanone;cyclohexene?
The IUPAC name of cyclohexanone;cyclohexene (CID 67659841) is cyclohexanone;cyclohexene.
What is the SMILES notation for cyclohexanone;cyclohexene?
The canonical SMILES for cyclohexanone;cyclohexene is C1=CCCCC1.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;cyclohexene?
The InChIKey is YXIXIZVWHXLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C6H10/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5H2;1-2H,3-6H2.
What are the key properties of cyclohexanone;cyclohexene?
cyclohexanone;cyclohexene has a molecular weight of 180.29 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;cyclohexene is sourced from PubChem (CID 67659841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).