2-cyclohexylbenzaldehyde

• ChemBase ID: 293534
• Molecular Formular: C13H16O
• Molecular Mass: 188.26554
• Monoisotopic Mass: 188.12011513
• SMILES: O=Cc1ccccc1C1CCCCC1
• Canonical SMILES: O=Cc1ccccc1C1CCCCC1
• InChI: InChI=1S/C13H16O/c14-10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2
• InChIKey: SFNWXOPQLKYXHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylbenzaldehyde
• IUPAC Traditional name: 2-cyclohexylbenzaldehyde
• Synonyms: 2-Cyclohexylbenzaldehyde

Database IDs

• CAS Number: 128323-04-6
• PubChem SID: 180679065
• PubChem CID: 14552110

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8007374
• LogD (pH = 7.4): 3.8007374
• Log P: 3.8007374
• Molar Refractivity: 58.8336 cm^3
• Polarizability: 22.484634 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%