1-cyclopentyloctan-1-ol

• ChemBase ID: 119005
• Molecular Formular: C13H26O
• Molecular Mass: 198.34494
• Monoisotopic Mass: 198.19836545
• SMILES: C1(C(O)CCCCCCC)CCCC1
• Canonical SMILES: CCCCCCCC(C1CCCC1)O
• InChI: InChI=1S/C13H26O/c1-2-3-4-5-6-11-13(14)12-9-7-8-10-12/h12-14H,2-11H2,1H3
• InChIKey: CORUNLCJGNBWGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyloctan-1-ol
• IUPAC Traditional name: 1-cyclopentyloctan-1-ol
• Synonyms: 1-cyclopentyloctan-1-ol

Database IDs

• PubChem SID: 162107251
• PubChem CID: 3730490

CALCULATED PROPERTIES

• Acid pKa: 19.288223
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.313078
• LogD (pH = 7.4): 4.3130784
• Log P: 4.3130784
• Molar Refractivity: 61.3531 cm^3
• Polarizability: 24.583132 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true