(2S)-1,1-dimethoxypropan-2-ol

• ChemBase ID: 281769
• Molecular Formular: C5H12O3
• Molecular Mass: 120.14698
• Monoisotopic Mass: 120.07864424
• SMILES: C([C@@H](O)C)(OC)OC
• Canonical SMILES: COC([C@@H](O)C)OC
• InChI: InChI=1S/C5H12O3/c1-4(6)5(7-2)8-3/h4-6H,1-3H3/t4-/m0/s1
• InChIKey: PRAYXKGWSGUXQK-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1,1-dimethoxypropan-2-ol
• IUPAC Traditional name: (2S)-1,1-dimethoxypropan-2-ol
• Synonyms: (2S)-1,1-dimethoxypropan-2-ol

Database IDs

• MDL Number: MFCD07778452
• PubChem SID: 180667300
• PubChem CID: 10975473

CALCULATED PROPERTIES

• Acid pKa: 13.716212
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12992501
• LogD (pH = 7.4): 0.1299248
• Log P: 0.12992501
• Molar Refractivity: 29.5047 cm^3
• Polarizability: 11.994462 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.624

Product Information

• Purity: 95%