2-methyloctadecan-2-ol

• ChemBase ID: 112666
• Molecular Formular: C19H40O
• Molecular Mass: 284.5203
• Monoisotopic Mass: 284.3079159
• SMILES: CCCCCCCCCCCCCCCCC(C)(C)O
• Canonical SMILES: CCCCCCCCCCCCCCCCC(O)(C)C
• InChI: InChI=1S/C19H40O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)20/h20H,4-18H2,1-3H3
• InChIKey: XQZLYLRSSSHRMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloctadecan-2-ol
• IUPAC Traditional name: 2-methyloctadecan-2-ol
• Synonyms: 2-METHYL OCTADECANOL-2

Database IDs

• PubChem SID: 162106862
• PubChem CID: 20571545

CALCULATED PROPERTIES

• Acid pKa: 18.530775
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.281866
• LogD (pH = 7.4): 7.281866
• Log P: 7.281866
• Molar Refractivity: 91.0049 cm^3
• Polarizability: 36.401302 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225238

MP Biomedicals Rare Chemical collection