2,4-dimethylcyclopentan-1-ol

• ChemBase ID: 111383
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: CC1CC(C)C(O)C1
• Canonical SMILES: CC1CC(C(C1)C)O
• InChI: InChI=1S/C7H14O/c1-5-3-6(2)7(8)4-5/h5-8H,3-4H2,1-2H3
• InChIKey: UIEZBRDQSWACQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethylcyclopentan-1-ol
• IUPAC Traditional name: 2,4-dimethylcyclopentan-1-ol
• Synonyms: 2,4-DIMETHYLCYCLOPENTANOL

Database IDs

• PubChem SID: 162106508
• PubChem CID: 551401

CALCULATED PROPERTIES

• Acid pKa: 18.668955
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4881166
• LogD (pH = 7.4): 1.4881167
• Log P: 1.4881167
• Molar Refractivity: 33.6947 cm^3
• Polarizability: 13.512976 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218952

MP Biomedicals Rare Chemical collection