4-propylcyclohexane-1-carbaldehyde

• ChemBase ID: 240607
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: O=CC1CCC(CC1)CCC
• Canonical SMILES: CCCC1CCC(CC1)C=O
• InChI: InChI=1S/C10H18O/c1-2-3-9-4-6-10(8-11)7-5-9/h8-10H,2-7H2,1H3
• InChIKey: OZKLOXFZSOVSRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-propylcyclohexane-1-carbaldehyde
• IUPAC Traditional name: 4-propylcyclohexane-1-carbaldehyde
• Synonyms: 4-propylcyclohexane-1-carbaldehyde

Database IDs

• MDL Number: MFCD21321759
• PubChem SID: 164296517
• PubChem CID: 15919403

CALCULATED PROPERTIES

• Acid pKa: 16.455181
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9076967
• LogD (pH = 7.4): 2.9076967
• Log P: 2.9076967
• Molar Refractivity: 46.6711 cm^3
• Polarizability: 18.4969 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.384

Product Information

• Purity: 95%