7-ethyl-2-methylundecan-4-ol

• ChemBase ID: 109847
• Molecular Formular: C14H30O
• Molecular Mass: 214.3874
• Monoisotopic Mass: 214.22966558
• SMILES: CCCCC(CC)CCC(O)CC(C)C
• Canonical SMILES: CCCCC(CCC(CC(C)C)O)CC
• InChI: InChI=1S/C14H30O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-15H,5-11H2,1-4H3
• InChIKey: JKKBSZCOVNFRCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethyl-2-methylundecan-4-ol
• IUPAC Traditional name: 7-ethyl-2-methylundecan-4-ol
• Synonyms: 7-ETHYL-2-METHYL-4-UNDECANOL; 7-Ethyl-2-methylundecan-4-ol

Database IDs

• CAS Number: 103-20-8
• MDL Number: MFCD00027253
• PubChem SID: 162095598
• PubChem CID: 97948

CALCULATED PROPERTIES

• Acid pKa: 18.795332
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.9858694
• LogD (pH = 7.4): 4.9858694
• Log P: 4.9858694
• Molar Refractivity: 67.7809 cm^3
• Polarizability: 27.168322 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05212784

MP Biomedicals Rare Chemical collection