8-methylheptadecan-8-ol

• ChemBase ID: 112659
• Molecular Formular: C18H38O
• Molecular Mass: 270.49372
• Monoisotopic Mass: 270.29226584
• SMILES: CCCCCCCCCC(C)(O)CCCCCCC
• Canonical SMILES: CCCCCCCCCC(CCCCCCC)(O)C
• InChI: InChI=1S/C18H38O/c1-4-6-8-10-11-13-15-17-18(3,19)16-14-12-9-7-5-2/h19H,4-17H2,1-3H3
• InChIKey: IBYDBWBINMVAHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylheptadecan-8-ol
• IUPAC Traditional name: 8-methylheptadecan-8-ol
• Synonyms: 8-METHYL HEPTADECANOL-8

Database IDs

• PubChem SID: 162106861
• PubChem CID: 588561

CALCULATED PROPERTIES

• Acid pKa: 19.302486
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.9152513
• LogD (pH = 7.4): 6.9152513
• Log P: 6.9152513
• Molar Refractivity: 86.3269 cm^3
• Polarizability: 34.554615 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225204

MP Biomedicals Rare Chemical collection