2,2-dimethylcyclopentan-1-ol

• ChemBase ID: 118902
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: C1(C(O)CCC1)(C)C
• Canonical SMILES: OC1CCCC1(C)C
• InChI: InChI=1S/C7H14O/c1-7(2)5-3-4-6(7)8/h6,8H,3-5H2,1-2H3
• InChIKey: HHZBHIQGEGSCJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylcyclopentan-1-ol
• IUPAC Traditional name: 2,2-dimethylcyclopentan-1-ol
• Synonyms: 2,2-dimethylcyclopentanol

Database IDs

• MDL Number: MFCD11655617
• PubChem SID: 162102806
• PubChem CID: 13468167

CALCULATED PROPERTIES

• Acid pKa: 19.012903
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5790983
• LogD (pH = 7.4): 1.5790985
• Log P: 1.5790985
• Molar Refractivity: 33.5442 cm^3
• Polarizability: 13.512976 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.89

Product Information

• Purity: 95+%