2-cyclohexylideneacetaldehyde

• ChemBase ID: 247278
• Molecular Formular: C8H12O
• Molecular Mass: 124.18028
• Monoisotopic Mass: 124.088815
• SMILES: C1(=CC=O)CCCCC1
• Canonical SMILES: O=CC=C1CCCCC1
• InChI: InChI=1S/C8H12O/c9-7-6-8-4-2-1-3-5-8/h6-7H,1-5H2
• InChIKey: WJMVPTHPBIDWHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylideneacetaldehyde
• IUPAC Traditional name: 2-cyclohexylideneacetaldehyde
• Synonyms: 2-cyclohexylideneacetaldehyde

Database IDs

• MDL Number: MFCD19300748
• PubChem SID: 164303188
• PubChem CID: 11126250

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8743074
• LogD (pH = 7.4): 1.8743074
• Log P: 1.8743074
• Molar Refractivity: 38.3223 cm^3
• Polarizability: 14.569685 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.112

Product Information

• Purity: 95%