(1R)-1-cyclopropylethan-1-ol

• ChemBase ID: 272219
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: C1(CC1)[C@H](O)C
• Canonical SMILES: C[C@H](C1CC1)O
• InChI: InChI=1S/C5H10O/c1-4(6)5-2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
• InChIKey: DKKVKJZXOBFLRY-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-cyclopropylethan-1-ol
• IUPAC Traditional name: (1R)-1-cyclopropylethanol
• Synonyms: (1R)-1-cyclopropylethan-1-ol

Database IDs

• MDL Number: MFCD08702990
• PubChem SID: 164328129
• PubChem CID: 6999829

CALCULATED PROPERTIES

• Acid pKa: 17.949919
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6785752
• LogD (pH = 7.4): 0.6785752
• Log P: 0.6785752
• Molar Refractivity: 24.6221 cm^3
• Polarizability: 9.8283 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.518

Product Information

• Purity: 95%