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

• ChemBase ID: 272814
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: [C@H]1([C@@H](OC)CCC1)O
• Canonical SMILES: CO[C@H]1CCC[C@@H]1O
• InChI: InChI=1S/C6H12O2/c1-8-6-4-2-3-5(6)7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
• InChIKey: YVXLDOASGKIXII-WDSKDSINSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18380760
• PubChem SID: 164328724
• PubChem CID: 11263491

CALCULATED PROPERTIES

• Acid pKa: 14.20172
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.4043477
• LogD (pH = 7.4): 0.40434763
• Log P: 0.4043477
• Molar Refractivity: 30.7872 cm^3
• Polarizability: 12.376324 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.237

Product Information

• Purity: 95%