1,1,1-triethoxy-3-methoxypropane

• ChemBase ID: 245885
• Molecular Formular: C10H22O4
• Molecular Mass: 206.27928
• Monoisotopic Mass: 206.15180918
• SMILES: C(CCOC)(OCC)(OCC)OCC
• Canonical SMILES: COCCC(OCC)(OCC)OCC
• InChI: InChI=1S/C10H22O4/c1-5-12-10(13-6-2,14-7-3)8-9-11-4/h5-9H2,1-4H3
• InChIKey: ASHZMAOLSNCSOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-triethoxy-3-methoxypropane
• IUPAC Traditional name: 1,1,1-triethoxy-3-methoxypropane
• Synonyms: 1,1,1-triethoxy-3-methoxypropane

Database IDs

• MDL Number: MFCD16112489
• PubChem SID: 164301795
• PubChem CID: 13128170

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5103157
• LogD (pH = 7.4): 1.5103157
• Log P: 1.5103157
• Molar Refractivity: 55.6357 cm^3
• Polarizability: 21.943861 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.254

Product Information

• Purity: 95%