methyl dec-9-enoate

• ChemBase ID: 119181
• Molecular Formular: C11H20O2
• Molecular Mass: 184.2753
• Monoisotopic Mass: 184.14632988
• SMILES: C(=O)(OC)CCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCC(=O)OC
• InChI: InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3H,1,4-10H2,2H3
• InChIKey: SBIGSHCJXYGFMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl dec-9-enoate
• IUPAC Traditional name: methyl dec-9-enoate
• Synonyms: methyl dec-9-enoate

Database IDs

• PubChem SID: 162107404
• PubChem CID: 1778877

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4310768
• LogD (pH = 7.4): 3.4310768
• Log P: 3.4310768
• Molar Refractivity: 54.2908 cm^3
• Polarizability: 21.513336 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds