prop-2-en-1-yl decanoate

• ChemBase ID: 109749
• Molecular Formular: C13H24O2
• Molecular Mass: 212.32846
• Monoisotopic Mass: 212.17763001
• SMILES: CCCCCCCCCC(=O)OCC=C
• Canonical SMILES: CCCCCCCCCC(=O)OCC=C
• InChI: InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-13(14)15-12-4-2/h4H,2-3,5-12H2,1H3
• InChIKey: DQVOTEHORLHPRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: prop-2-en-1-yl decanoate
• IUPAC Traditional name: prop-2-en-1-yl decanoate
• Synonyms: ALLYL CAPRATE

Database IDs

• CAS Number: 57856-81-2
• PubChem SID: 162089320
• PubChem CID: 93831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.466315
• LogD (pH = 7.4): 4.466315
• Log P: 4.466315
• Molar Refractivity: 63.4094 cm^3
• Polarizability: 25.201178 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212430

MP Biomedicals Rare Chemical collection