14-methylhexadec-8-enal

• ChemBase ID: 103896
• Molecular Formular: C17H32O
• Molecular Mass: 252.43538
• Monoisotopic Mass: 252.24531564
• SMILES: CCC(C)CCCC/C=C/CCCCCCC=O
• Canonical SMILES: O=CCCCCCC/C=C/CCCCC(CC)C
• InChI: InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3
• InChIKey: HSGUJTMCFWXGAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 14-methylhexadec-8-enal
• IUPAC Traditional name: 14-methylhexadec-8-enal
• Synonyms: 14-METHYL-Z-8-HEXA-DECEN-1-AL

Database IDs

• CAS Number: 60609-53-2
• PubChem SID: 162090917
• PubChem CID: 6073809

CALCULATED PROPERTIES

• Acid pKa: 15.55538
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.023064
• LogD (pH = 7.4): 6.023064
• Log P: 6.023064
• Molar Refractivity: 81.8234 cm^3
• Polarizability: 31.922955 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95%

DETAILS

MP Biomedicals - 02153215

Purity: 95%
Pheromone for Khapra beetle, Warehouse beetle