1,1,1-triethoxybutane

• ChemBase ID: 266107
• Molecular Formular: C10H22O3
• Molecular Mass: 190.27988
• Monoisotopic Mass: 190.15689456
• SMILES: C(OCC)(OCC)(OCC)CCC
• Canonical SMILES: CCCC(OCC)(OCC)OCC
• InChI: InChI=1S/C10H22O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h5-9H2,1-4H3
• InChIKey: KOPMZTKUZCNGFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-triethoxybutane
• IUPAC Traditional name: 1,1,1-triethoxybutane
• Synonyms: 1,1,1-triethoxybutane

Database IDs

• MDL Number: MFCD00059382
• PubChem SID: 164322017
• PubChem CID: 371779

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0407867
• LogD (pH = 7.4): 3.0407867
• Log P: 3.0407867
• Molar Refractivity: 53.7108 cm^3
• Polarizability: 21.228058 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.054

Product Information

• Purity: 95%