8-(2H3)methyl(8,9,9,9-2H4)nonan-1-ol

• ChemBase ID: 174098
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: C(CCCCCCCO)(C)C
• Canonical SMILES: OCCCCCCCC(C)C
• InChI: InChI=1S/C10H22O/c1-10(2)8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3
• InChIKey: PLLBRTOLHQQAQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(^2H₃)methyl(8,9,9,9-^2H₄)nonan-1-ol
• IUPAC Traditional name: 8-(^2H₃)methyl(8,9,9,9-^2H₄)nonan-1-ol
• Synonyms: 8-Methyl-1-nonanol-d7; 8-Methylnonanol-d7

Database IDs

• PubChem SID: 164230008
• PubChem CID: 71750514

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3151844
• LogD (pH = 7.4): 3.3151844
• Log P: 3.3151844
• Molar Refractivity: 49.6885 cm^3
• Polarizability: 19.78336 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M325617

Labelled 8-Methylnonanol (M325615). 8-Methylnonanol is used in the composition of perfume with natural floral fragrance.