1,1,3,3-tetraethoxy-2-methylpropane

• ChemBase ID: 259638
• Molecular Formular: C12H26O4
• Molecular Mass: 234.33244
• Monoisotopic Mass: 234.18310931
• SMILES: C(C(OCC)OCC)(C(OCC)OCC)C
• Canonical SMILES: CCOC(C(C(OCC)OCC)C)OCC
• InChI: InChI=1S/C12H26O4/c1-6-13-11(14-7-2)10(5)12(15-8-3)16-9-4/h10-12H,6-9H2,1-5H3
• InChIKey: XTYLJMKJLMHFJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,3,3-tetraethoxy-2-methylpropane
• IUPAC Traditional name: 1,1,3,3-tetraethoxy-2-methylpropane
• Synonyms: 1,1,3,3-tetraethoxy-2-methylpropane

Database IDs

• CAS Number: 10602-37-6
• MDL Number: MFCD00541470
• PubChem SID: 164315548
• PubChem CID: 82761

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.244367
• LogD (pH = 7.4): 2.244367
• Log P: 2.244367
• Molar Refractivity: 63.6876 cm^3
• Polarizability: 25.613474 Å^3
• Polar Surface Area: 36.92 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.042

Product Information

• Purity: 95%