1-cyclopropylprop-2-en-1-ol

• ChemBase ID: 247130
• Molecular Formular: C6H10O
• Molecular Mass: 98.143
• Monoisotopic Mass: 98.07316494
• SMILES: C1(CC1)C(C=C)O
• Canonical SMILES: C=CC(C1CC1)O
• InChI: InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h2,5-7H,1,3-4H2
• InChIKey: VPBHQZFFRSKYPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01860564
• PubChem SID: 164303040
• PubChem CID: 12774540

CALCULATED PROPERTIES

• Acid pKa: 17.735249
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.053017
• LogD (pH = 7.4): 1.0530171
• Log P: 1.0530171
• Molar Refractivity: 29.0362 cm^3
• Polarizability: 11.43008 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.763

Product Information

• Purity: 95%