octadec-11-enoyl chloride

• ChemBase ID: 105044
• Molecular Formular: C18H33ClO
• Molecular Mass: 300.90702
• Monoisotopic Mass: 300.22199336
• SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)Cl
• Canonical SMILES: CCCCCC/C=C/CCCCCCCCCC(=O)Cl
• InChI: InChI=1S/C18H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3
• InChIKey: WYUXJEJFKYBBMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octadec-11-enoyl chloride
• IUPAC Traditional name: octadec-11-enoyl chloride
• Synonyms: cis-VACCENOYL CHLORIDE

Database IDs

• CAS Number: 95548-26-8
• PubChem SID: 162092356
• PubChem CID: 6047301

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.317128
• LogD (pH = 7.4): 7.317128
• Log P: 7.317128
• Molar Refractivity: 91.2607 cm^3
• Polarizability: 35.575684 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02158259

Purity: 98%
Liquid