methyl 9-(oxiran-2-yl)nonanoate

• ChemBase ID: 119188
• Molecular Formular: C12H22O3
• Molecular Mass: 214.30128
• Monoisotopic Mass: 214.15689456
• SMILES: O1CC1CCCCCCCCC(=O)OC
• Canonical SMILES: COC(=O)CCCCCCCCC1CO1
• InChI: InChI=1S/C12H22O3/c1-14-12(13)9-7-5-3-2-4-6-8-11-10-15-11/h11H,2-10H2,1H3
• InChIKey: UGYHPPMOOSFOTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 9-(oxiran-2-yl)nonanoate
• IUPAC Traditional name: methyl 9-(oxiran-2-yl)nonanoate
• Synonyms: methyl 9-(oxiran-2-yl)nonanoate

Database IDs

• PubChem SID: 162107406
• PubChem CID: 261545

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8297548
• LogD (pH = 7.4): 2.8297548
• Log P: 2.8297548
• Molar Refractivity: 58.6278 cm^3
• Polarizability: 23.564947 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds