2-ethyl-6-(oxan-2-yloxy)hexan-1-ol

• ChemBase ID: 168758
• Molecular Formular: C13H26O3
• Molecular Mass: 230.34374
• Monoisotopic Mass: 230.18819469
• SMILES: OCC(CCCCOC1CCCCO1)CC
• Canonical SMILES: CCC(CCCCOC1CCCCO1)CO
• InChI: InChI=1S/C13H26O3/c1-2-12(11-14)7-3-5-9-15-13-8-4-6-10-16-13/h12-14H,2-11H2,1H3
• InChIKey: CVNPBSROJVKIEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-6-(oxan-2-yloxy)hexan-1-ol
• IUPAC Traditional name: 2-ethyl-6-(oxan-2-yloxy)hexan-1-ol
• Synonyms: 2-Ethyl-6-tetrahydropyranoxy-1-hexanol

Database IDs

• PubChem SID: 162262890
• PubChem CID: 71316668

CALCULATED PROPERTIES

• Acid pKa: 17.698263
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6110158
• LogD (pH = 7.4): 2.6110158
• Log P: 2.6110158
• Molar Refractivity: 65.1229 cm^3
• Polarizability: 25.948809 Å^3
• Polar Surface Area: 38.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Oil