hexadec-9-enoyl chloride

• ChemBase ID: 104476
• Molecular Formular: C16H29ClO
• Molecular Mass: 272.85386
• Monoisotopic Mass: 272.19069323
• SMILES: CCCCCC/C=C/CCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCC/C=C/CCCCCCCC(=O)Cl
• InChI: InChI=1S/C16H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3
• InChIKey: VZQFJZYVQNXVRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexadec-9-enoyl chloride
• IUPAC Traditional name: hexadec-9-enoyl chloride
• Synonyms: PALMITOLEOYL CHLORIDE

Database IDs

• CAS Number: 40426-22-0
• PubChem SID: 162092217
• PubChem CID: 6272807

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.427991
• LogD (pH = 7.4): 6.427991
• Log P: 6.427991
• Molar Refractivity: 82.0587 cm^3
• Polarizability: 31.88706 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 13
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02156050

Purity: 99%