1,2-dimethylcyclopropan-1-ol

• ChemBase ID: 246039
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: C1(CC1C)(O)C
• Canonical SMILES: CC1CC1(C)O
• InChI: InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3
• InChIKey: LLRXHYJWGRSYIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethylcyclopropan-1-ol
• IUPAC Traditional name: 1,2-dimethylcyclopropan-1-ol
• Synonyms: 1,2-dimethylcyclopropan-1-ol

Database IDs

• MDL Number: MFCD21849666
• PubChem SID: 164301949
• PubChem CID: 14453682

CALCULATED PROPERTIES

• Acid pKa: 17.91503
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5925369
• LogD (pH = 7.4): 0.592537
• Log P: 0.592537
• Molar Refractivity: 24.5823 cm^3
• Polarizability: 9.8283 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.628

Product Information

• Purity: 95%