2-(2-hydroxyethoxy)ethyl dodecanoate

• ChemBase ID: 107484
• Molecular Formular: C16H32O4
• Molecular Mass: 288.42288
• Monoisotopic Mass: 288.2300595
• SMILES: CCCCCCCCCCCC(=O)OCCOCCO
• Canonical SMILES: CCCCCCCCCCCC(=O)OCCOCCO
• InChI: InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-16(18)20-15-14-19-13-12-17/h17H,2-15H2,1H3
• InChIKey: WGIMXKDCVCTHGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-hydroxyethoxy)ethyl dodecanoate
• IUPAC Traditional name: 2-(2-hydroxyethoxy)ethyl dodecanoate
• Synonyms: DIETHYLENE GLYCOL MONOLAURATE

Database IDs

• CAS Number: 141-20-8
• EC Number: 205-468-1
• PubChem SID: 162093217
• PubChem CID: 67330

CALCULATED PROPERTIES

• Acid pKa: 15.121155
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8871245
• LogD (pH = 7.4): 3.8871245
• Log P: 3.8871245
• Molar Refractivity: 80.7845 cm^3
• Polarizability: 32.277714 Å^3
• Polar Surface Area: 55.76 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.97g/ml