5,9-dimethyldecan-1-ol

• ChemBase ID: 183279
• Molecular Formular: C12H26O
• Molecular Mass: 186.33424
• Monoisotopic Mass: 186.19836545
• SMILES: OCCCCC(CCCC(C)C)C
• Canonical SMILES: OCCCCC(CCCC(C)C)C
• InChI: InChI=1S/C12H26O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h11-13H,4-10H2,1-3H3
• InChIKey: VQNCGSXNEUQERP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,9-dimethyldecan-1-ol
• IUPAC Traditional name: 5,9-dimethyldecan-1-ol

Database IDs

• PubChem SID: 164239189
• PubChem CID: 534457

CALCULATED PROPERTIES

• Acid pKa: 16.843937
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.046772
• LogD (pH = 7.4): 4.046772
• Log P: 4.046772
• Molar Refractivity: 58.8381 cm^3
• Polarizability: 23.4756 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds