cyclopent-1-ene-1-carbaldehyde

• ChemBase ID: 287872
• Molecular Formular: C6H8O
• Molecular Mass: 96.12712
• Monoisotopic Mass: 96.05751488
• SMILES: O=CC1=CCCC1
• Canonical SMILES: O=CC1=CCCC1
• InChI: InChI=1S/C6H8O/c7-5-6-3-1-2-4-6/h3,5H,1-2,4H2
• InChIKey: RALDHUZFXJKFQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopent-1-ene-1-carbaldehyde
• IUPAC Traditional name: cyclopent-1-ene-1-carbaldehyde
• Synonyms: 1-Cyclopentene-1-carbaldehyde

Database IDs

• CAS Number: 6140-65-4
• MDL Number: MFCD11656312
• PubChem SID: 180673403
• PubChem CID: 138672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1373593
• LogD (pH = 7.4): 1.1373593
• Log P: 1.1373593
• Molar Refractivity: 29.1954 cm^3
• Polarizability: 10.882095 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%