6-ethyloctan-3-ol

• ChemBase ID: 110476
• Molecular Formular: C10H22O
• Molecular Mass: 158.28108
• Monoisotopic Mass: 158.16706532
• SMILES: CCC(O)CCC(CC)CC
• Canonical SMILES: CCC(CCC(CC)CC)O
• InChI: InChI=1S/C10H22O/c1-4-9(5-2)7-8-10(11)6-3/h9-11H,4-8H2,1-3H3
• InChIKey: JWZFCOOWAQHCBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyloctan-3-ol
• IUPAC Traditional name: 6-ethyloctan-3-ol
• Synonyms: ETHYL-3-ETHYLPENTYLCARBINOL

Database IDs

• CAS Number: 19781-27-2
• PubChem SID: 162095957
• PubChem CID: 140601

CALCULATED PROPERTIES

• Acid pKa: 18.192142
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3651445
• LogD (pH = 7.4): 3.3651445
• Log P: 3.3651445
• Molar Refractivity: 49.4293 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 - 05215177

MP Biomedicals Rare Chemical collection