1-cyclopropylprop-2-yn-1-ol

• ChemBase ID: 243809
• Molecular Formular: C6H8O
• Molecular Mass: 96.12712
• Monoisotopic Mass: 96.05751488
• SMILES: C1(CC1)C(C#C)O
• Canonical SMILES: OC(C1CC1)C#C
• InChI: InChI=1S/C6H8O/c1-2-6(7)5-3-4-5/h1,5-7H,3-4H2
• InChIKey: NFQRIJRWUCDRPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylprop-2-yn-1-ol
• IUPAC Traditional name: 1-cyclopropylprop-2-yn-1-ol
• Synonyms: 1-cyclopropylprop-2-yn-1-ol

Database IDs

• MDL Number: MFCD21143277
• PubChem SID: 164299719
• PubChem CID: 343119

CALCULATED PROPERTIES

• Acid pKa: 15.257483
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.54985034
• LogD (pH = 7.4): 0.5498503
• Log P: 0.54985034
• Molar Refractivity: 27.4537 cm^3
• Polarizability: 10.573244 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.589

Product Information

• Purity: 95%