1-phenylcyclopentane-1-carbaldehyde

• ChemBase ID: 799494
• Molecular Formular: C12H14O
• Molecular Mass: 174.23896
• Monoisotopic Mass: 174.10446507
• SMILES: C1(CCCC1)(C=O)c1ccccc1
• Canonical SMILES: O=CC1(CCCC1)c1ccccc1
• InChI: InChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
• InChIKey: KZCVVVIPPHGCOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-phenylcyclopentane-1-carbaldehyde
• IUPAC Traditional name: 1-phenylcyclopentane-1-carbaldehyde
• Synonyms: 1-phenylcyclopentanecarbaldehyde

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.97679
• LogD (pH = 7.4): 2.97679
• Log P: 2.97679
• Molar Refractivity: 52.9155 cm^3
• Polarizability: 20.737144 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%