3-cyclopentylpropanal

• ChemBase ID: 307238
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: O=CCCC1CCCC1
• Canonical SMILES: O=CCCC1CCCC1
• InChI: InChI=1S/C8H14O/c9-7-3-6-8-4-1-2-5-8/h7-8H,1-6H2
• InChIKey: UWAOHFMOWBQIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopentylpropanal
• IUPAC Traditional name: 3-cyclopentylpropanal
• Synonyms: 3-cyclopentylpropanal

Database IDs

• CAS Number: 6053-89-0
• MDL Number: MFCD09745006

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.9201417
• LogD (pH = 7.4): 1.9201417
• Log P: 1.9201417
• Molar Refractivity: 37.4956 cm^3
• Polarizability: 14.80832 Å^3
• Polar Surface Area: 17.07 Å^2