1-(2-hydroxyethyl)cyclopentan-1-ol

• ChemBase ID: 65414
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: C1CCCC1(O)CCO
• Canonical SMILES: OCCC1(O)CCCC1
• InChI: InChI=1S/C7H14O2/c8-6-5-7(9)3-1-2-4-7/h8-9H,1-6H2
• InChIKey: QGMKCAZXZBYWCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-hydroxyethyl)cyclopentan-1-ol
• IUPAC Traditional name: 1-(2-hydroxyethyl)cyclopentan-1-ol
• Synonyms: 1-(2-Hydroxyethyl)cyclopentanol

Database IDs

• CAS Number: 73089-93-7
• MDL Number: MFCD00778617
• PubChem SID: 162031153
• PubChem CID: 14101999

CALCULATED PROPERTIES

• Acid pKa: 14.680356
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.12975124
• LogD (pH = 7.4): 0.12975122
• Log P: 0.12975124
• Molar Refractivity: 35.7218 cm^3
• Polarizability: 14.140562 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%