undec-10-en-1-yl acetate

• ChemBase ID: 111533
• Molecular Formular: C13H24O2
• Molecular Mass: 212.32846
• Monoisotopic Mass: 212.17763001
• SMILES: CC(=O)OCCCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCCOC(=O)C
• InChI: InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3H,1,4-12H2,2H3
• InChIKey: VCVAXEYHJAFRGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-10-en-1-yl acetate
• IUPAC Traditional name: undec-10-en-1-yl acetate
• Synonyms: n-UNDECYLENIC ACETATE

Database IDs

• CAS Number: 112-19-6
• PubChem SID: 162090794
• PubChem CID: 61035

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.05444
• LogD (pH = 7.4): 4.05444
• Log P: 4.05444
• Molar Refractivity: 63.5375 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 - 05219724

MP Biomedicals Rare Chemical collection