(1S)-1-(2-methyloxolan-2-yl)ethan-1-ol

• ChemBase ID: 241001
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: C1(OCCC1)([C@@H](O)C)C
• Canonical SMILES: C[C@@H](C1(C)CCCO1)O
• InChI: InChI=1S/C7H14O2/c1-6(8)7(2)4-3-5-9-7/h6,8H,3-5H2,1-2H3/t6-,7?/m0/s1
• InChIKey: MBKSTGJPHCKRJC-PKPIPKONSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(2-methyloxolan-2-yl)ethan-1-ol
• IUPAC Traditional name: (1S)-1-(2-methyloxolan-2-yl)ethanol
• Synonyms: (1S)-1-(2-methyloxolan-2-yl)ethan-1-ol

Database IDs

• MDL Number: MFCD22421797
• PubChem SID: 164296911
• PubChem CID: 71756682

CALCULATED PROPERTIES

• Acid pKa: 14.25621
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5971637
• LogD (pH = 7.4): 0.5971636
• Log P: 0.5971637
• Molar Refractivity: 35.573 cm^3
• Polarizability: 14.211557 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.666

Product Information

• Purity: 95%