3-methylnonadecan-3-ol

• ChemBase ID: 112663
• Molecular Formular: C20H42O
• Molecular Mass: 298.54688
• Monoisotopic Mass: 298.32356596
• SMILES: CCCCCCCCCCCCCCCCC(C)(O)CC
• Canonical SMILES: CCCCCCCCCCCCCCCCC(CC)(O)C
• InChI: InChI=1S/C20H42O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3,21)5-2/h21H,4-19H2,1-3H3
• InChIKey: ZHUUALXCQCMTKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylnonadecan-3-ol
• IUPAC Traditional name: 3-methylnonadecan-3-ol
• Synonyms: 3-METHYL NONADECANOL-3

Database IDs

• PubChem SID: 162106791
• PubChem CID: 44135632

CALCULATED PROPERTIES

• Acid pKa: 19.094189
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.8043885
• LogD (pH = 7.4): 7.8043885
• Log P: 7.8043885
• Molar Refractivity: 95.5289 cm^3
• Polarizability: 38.248028 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05225233

MP Biomedicals Rare Chemical collection