(2,2-dimethylcyclopropyl)methanol

• ChemBase ID: 308790
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: C1(CC1CO)(C)C
• Canonical SMILES: OCC1CC1(C)C
• InChI: InChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3
• InChIKey: HCRFKZNNRFJHKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethylcyclopropyl)methanol
• IUPAC Traditional name: (2,2-dimethylcyclopropyl)methanol
• Synonyms: (2,2-dimethylcyclopropyl)methanol

Database IDs

• CAS Number: 930-50-7
• MDL Number: MFCD11054018

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.84906644
• LogD (pH = 7.4): 0.84906644
• Log P: 0.84906644
• Molar Refractivity: 29.227 cm^3
• Polarizability: 11.669966 Å^3
• Polar Surface Area: 20.23 Å^2