2-methylnonan-2-ol

• ChemBase ID: 111820
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: CCCCCCCC(C)(C)O
• Canonical SMILES: CCCCCCCC(O)(C)C
• InChI: InChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3
• InChIKey: VREDNSVJXRJXRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnonan-2-ol
• IUPAC Traditional name: 2-nonanol, 2-methyl-
• Synonyms: 2-METHYL-2-NONANOL

Database IDs

• CAS Number: 10297-57-1
• PubChem SID: 162097189
• PubChem CID: 25139

CALCULATED PROPERTIES

• Acid pKa: 18.530775
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.2807481
• LogD (pH = 7.4): 3.2807484
• Log P: 3.2807484
• Molar Refractivity: 49.595898 cm^3
• Polarizability: 19.78336 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05221179

MP Biomedicals Rare Chemical collection