dec-7-enal

• ChemBase ID: 107101
• Molecular Formular: C10H18O
• Molecular Mass: 154.24932
• Monoisotopic Mass: 154.1357652
• SMILES: CC/C=C/CCCCCC=O
• Canonical SMILES: O=CCCCCC/C=C/CC
• InChI: InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,10H,2,5-9H2,1H3
• InChIKey: UZFFFFWQKMPLAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dec-7-enal
• IUPAC Traditional name: dec-7-enal
• Synonyms: cis-7-DECEN-1-AL

Database IDs

• CAS Number: 21661-97-2
• EC Number: 244-512-4
• PubChem SID: 162093000
• PubChem CID: 5857489

CALCULATED PROPERTIES

• Acid pKa: 15.551788
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0686328
• LogD (pH = 7.4): 3.0686328
• Log P: 3.0686328
• Molar Refractivity: 49.6688 cm^3
• Polarizability: 18.9974 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202546

MP Biomedicals Rare Chemical collection