oxiran-2-ylmethyl tetradecanoate

• ChemBase ID: 169747
• Molecular Formular: C17H32O3
• Molecular Mass: 284.43418
• Monoisotopic Mass: 284.23514488
• SMILES: C(=O)(OCC1OC1)CCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC1OC1
• InChI: InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(18)20-15-16-14-19-16/h16H,2-15H2,1H3
• InChIKey: WVRMZLGUSWWTOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxiran-2-ylmethyl tetradecanoate
• IUPAC Traditional name: oxiran-2-ylmethyl tetradecanoate
• Synonyms: Tetradecanoic Acid 2-Oxiranylmethyl Ester; Glycidyl Tetradecanoate; Myristic Acid Glycidyl Ester; NSC 404224; Glycidyl Myristate

Database IDs

• CAS Number: 7460-80-2
• PubChem SID: 162263879
• PubChem CID: 346148

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.354606
• LogD (pH = 7.4): 5.354606
• Log P: 5.354606
• Molar Refractivity: 81.3954 cm^3
• Polarizability: 32.766396 Å^3
• Polar Surface Area: 38.83 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Low Melting Solid

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - G615800

A potential inhibitor of monoacylglycerol lipase.