4-methylnonan-5-ol

• ChemBase ID: 295873
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: CCCCC(C(C)CCC)O
• Canonical SMILES: CCCCC(C(CCC)C)O
• InChI: InChI=1S/C10H22O/c1-4-6-8-10(11)9(3)7-5-2/h9-11H,4-8H2,1-3H3
• InChIKey: MBZNNOPVFZCHID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylnonan-5-ol
• IUPAC Traditional name: 4-methylnonan-5-ol
• Synonyms: 4-Methyl-5-nonanol; 4-甲基-5-壬醇

Database IDs

• CAS Number: 154170-44-2
• MDL Number: MFCD00046696
• PubChem SID: 180681404
• PubChem CID: 3025865

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 19.07717
• 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
• Polarizability: 19.78336 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 6

PROPERTIES

Physical Property

• Refractive Index: 1.4360

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%