ethenyl nonanoate

• ChemBase ID: 111580
• Molecular Formular: C11H20O2
• Molecular Mass: 184.2753
• Monoisotopic Mass: 184.14632988
• SMILES: CCCCCCCCC(=O)OC=C
• Canonical SMILES: CCCCCCCCC(=O)OC=C
• InChI: InChI=1S/C11H20O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h4H,2-3,5-10H2,1H3
• InChIKey: NWJTZFZQVYJIHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethenyl nonanoate
• IUPAC Traditional name: ethenyl nonanoate
• Synonyms: VINYL PELARGONATE

Database IDs

• CAS Number: 1599-82-4
• PubChem SID: 162096752
• PubChem CID: 80472

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7951705
• LogD (pH = 7.4): 3.7951705
• Log P: 3.7951705
• Molar Refractivity: 53.3379 cm^3
• Polarizability: 21.513336 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219947

MP Biomedicals Rare Chemical collection