1-(oxolan-3-yl)cyclopropan-1-ol

• ChemBase ID: 276948
• Molecular Formular: C7H12O2
• Molecular Mass: 128.16898
• Monoisotopic Mass: 128.08372962
• SMILES: C1(CC1)(C1COCC1)O
• Canonical SMILES: OC1(CC1)C1COCC1
• InChI: InChI=1S/C7H12O2/c8-7(2-3-7)6-1-4-9-5-6/h6,8H,1-5H2
• InChIKey: ZQLOYNPMKUTRBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(oxolan-3-yl)cyclopropan-1-ol
• IUPAC Traditional name: 1-(oxolan-3-yl)cyclopropan-1-ol
• Synonyms: 1-(oxolan-3-yl)cyclopropan-1-ol

Database IDs

• MDL Number: MFCD16840843
• PubChem SID: 164332858
• PubChem CID: 54594441

CALCULATED PROPERTIES

• Acid pKa: 14.765194
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.11046891
• LogD (pH = 7.4): -0.11046893
• Log P: -0.11046891
• Molar Refractivity: 33.9558 cm^3
• Polarizability: 13.492226 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.688

Product Information

• Purity: 95%