1-cyclopropylpent-4-en-1-ol

• ChemBase ID: 242090
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: C1(CC1)C(O)CCC=C
• Canonical SMILES: C=CCCC(C1CC1)O
• InChI: InChI=1S/C8H14O/c1-2-3-4-8(9)7-5-6-7/h2,7-9H,1,3-6H2
• InChIKey: INKZPISVSVOIQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropylpent-4-en-1-ol
• IUPAC Traditional name: 1-cyclopropylpent-4-en-1-ol
• Synonyms: 1-cyclopropylpent-4-en-1-ol

Database IDs

• MDL Number: MFCD18337821
• PubChem SID: 164298000
• PubChem CID: 63354154

CALCULATED PROPERTIES

• Acid pKa: 18.70018
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7862469
• LogD (pH = 7.4): 1.786247
• Log P: 1.786247
• Molar Refractivity: 38.3922 cm^3
• Polarizability: 15.119015 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.621

Product Information

• Purity: 95%