3-(cyclohexylmethoxy)benzaldehyde

• ChemBase ID: 264695
• Molecular Formular: C14H18O2
• Molecular Mass: 218.29152
• Monoisotopic Mass: 218.13067982
• SMILES: O=Cc1cc(OCC2CCCCC2)ccc1
• Canonical SMILES: O=Cc1cccc(c1)OCC1CCCCC1
• InChI: InChI=1S/C14H18O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2
• InChIKey: WHKLMKVCYKWULR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexylmethoxy)benzaldehyde
• IUPAC Traditional name: 3-(cyclohexylmethoxy)benzaldehyde
• Synonyms: 3-(cyclohexylmethoxy)benzaldehyde

Database IDs

• MDL Number: MFCD11127670
• PubChem SID: 164320605
• PubChem CID: 28369623

CALCULATED PROPERTIES

• Log P: 3.6423602
• Molar Refractivity: 64.8502 cm^3
• Polarizability: 25.06244 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6423602
• LogD (pH = 7.4): 3.6423602

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.429

Product Information

• Purity: 95%