2-(octadecanoyloxy)ethyl octadecanoate

• ChemBase ID: 127594
• Molecular Formular: C38H74O4
• Molecular Mass: 594.99176
• Monoisotopic Mass: 594.55871085
• SMILES: O=C(OCCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC
• InChI: InChI=1S/C38H74O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(39)41-35-36-42-38(40)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
• InChIKey: FPVVYTCTZKCSOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(octadecanoyloxy)ethyl octadecanoate
• IUPAC Traditional name: glycol distearate
• Synonyms: Ethylene glycol distearate; Ethylene distearate; Ethylene glycol dioctadecanoate; Glycol distearate

Database IDs

• CAS Number: 627-83-8
• PubChem SID: 162221913
• PubChem CID: 61174
• Chemspider ID: 55120
• Wikipedia Title: Glycol_distearate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 14.411703
• LogD (pH = 7.4): 14.411703
• Log P: 14.411703
• Molar Refractivity: 180.1404 cm^3
• Polarizability: 72.28054 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 37
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 65-73 °C