1-cyclopentylheptan-1-ol

• ChemBase ID: 118950
• Molecular Formular: C12H24O
• Molecular Mass: 184.31836
• Monoisotopic Mass: 184.18271539
• SMILES: C1(C(O)CCCCCC)CCCC1
• Canonical SMILES: CCCCCCC(C1CCCC1)O
• InChI: InChI=1S/C12H24O/c1-2-3-4-5-10-12(13)11-8-6-7-9-11/h11-13H,2-10H2,1H3
• InChIKey: INYVLTJGOFRLEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162107239
• PubChem CID: 3514537

CALCULATED PROPERTIES

• Acid pKa: 19.288223
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8685095
• LogD (pH = 7.4): 3.8685095
• Log P: 3.8685095
• Molar Refractivity: 56.7521 cm^3
• Polarizability: 22.737331 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true