1,1,2,2-tetramethoxypropane

• ChemBase ID: 241688
• Molecular Formular: C7H16O4
• Molecular Mass: 164.19954
• Monoisotopic Mass: 164.10485899
• SMILES: C(C(OC)OC)(OC)(OC)C
• Canonical SMILES: COC(C(OC)(OC)C)OC
• InChI: InChI=1S/C7H16O4/c1-7(10-4,11-5)6(8-2)9-3/h6H,1-5H3
• InChIKey: KDSOZBZUDLSRTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetramethoxypropane
• IUPAC Traditional name: 1,1,2,2-tetramethoxypropane
• Synonyms: 1,1,2,2-tetramethoxypropane

Database IDs

• MDL Number: MFCD22565893
• PubChem SID: 164297598
• PubChem CID: 12922474

CALCULATED PROPERTIES

• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8834418
• LogD (pH = 7.4): 0.8834418
• Log P: 0.8834418
• Molar Refractivity: 40.64 cm^3
• Polarizability: 16.45576 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.133

Product Information

• Purity: 95%