2-(dodecanoyloxy)ethyl dodecanoate

• ChemBase ID: 108309
• Molecular Formular: C26H50O4
• Molecular Mass: 426.6728
• Monoisotopic Mass: 426.37091008
• SMILES: CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
• InChI: InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-25(27)29-23-24-30-26(28)22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
• InChIKey: ZVUNTIMPQCQCAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dodecanoyloxy)ethyl dodecanoate
• IUPAC Traditional name: 2-(dodecanoyloxy)ethyl dodecanoate
• Synonyms: ETHYLENE GLYCOL DILAURATE

Database IDs

• CAS Number: 624-04-4
• EC Number: 210-827-0
• PubChem SID: 162095498
• PubChem CID: 69348

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.0768795
• LogD (pH = 7.4): 9.0768795
• Log P: 9.0768795
• Molar Refractivity: 124.9284 cm^3
• Polarizability: 50.147587 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 25
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05206876

MP Biomedicals Rare Chemical collection