2-methylnonan-3-ol

• ChemBase ID: 112366
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: CCCCCCC(O)C(C)C
• Canonical SMILES: CCCCCCC(C(C)C)O
• InChI: InChI=1S/C10H22O/c1-4-5-6-7-8-10(11)9(2)3/h9-11H,4-8H2,1-3H3
• InChIKey: OFIYMUXECPHIPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnonan-3-ol
• IUPAC Traditional name: 2-methylnonan-3-ol
• Synonyms: 2-METHYL-3-NONANOL

Database IDs

• CAS Number: 26533-33-5
• PubChem SID: 162097449
• PubChem CID: 141300

CALCULATED PROPERTIES

• Polarizability: 19.78336 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 18.827166
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.443098
• LogD (pH = 7.4): 3.443098
• Log P: 3.443098
• Molar Refractivity: 49.3523 cm^3

DETAILS

MP Biomedicals - 05223633

MP Biomedicals Rare Chemical collection