2-cyclopentylpropanal

• ChemBase ID: 237715
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: O=CC(C1CCCC1)C
• Canonical SMILES: O=CC(C1CCCC1)C
• InChI: InChI=1S/C8H14O/c1-7(6-9)8-4-2-3-5-8/h6-8H,2-5H2,1H3
• InChIKey: QQOCJHKBZXOCAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20862539
• PubChem SID: 164293625
• PubChem CID: 20205961

CALCULATED PROPERTIES

• Acid pKa: 16.46454
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0185595
• LogD (pH = 7.4): 2.0185595
• Log P: 2.0185595
• Molar Refractivity: 37.4691 cm^3
• Polarizability: 14.80832 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.396

Product Information

• Purity: 95%