cyclopent-3-en-1-ylmethanol

• ChemBase ID: 238674
• Molecular Formular: C6H10O
• Molecular Mass: 98.143
• Monoisotopic Mass: 98.07316494
• SMILES: C1=CCC(C1)CO
• Canonical SMILES: OCC1CC=CC1
• InChI: InChI=1S/C6H10O/c7-5-6-3-1-2-4-6/h1-2,6-7H,3-5H2
• InChIKey: ADLKZHGHNJBOOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopent-3-en-1-ylmethanol; (cyclopent-3-en-1-yl)methanol
• IUPAC Traditional name: cyclopent-3-en-1-ylmethanol
• Synonyms: 1-Hydroxymethyl-3-cyclopentene; cyclopent-3-en-1-ylmethanol

Database IDs

• CAS Number: 25125-21-7
• MDL Number: MFCD04038630
• PubChem SID: 164294584
• PubChem CID: 1514122

CALCULATED PROPERTIES

• Log P: 0.78921586
• Molar Refractivity: 30.5219 cm^3
• Polarizability: 11.43008 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 17.715137
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.78921586
• LogD (pH = 7.4): 0.78921586

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.843

Product Information

• Purity: 95%; 95+%; 97%