2-ethyloxan-4-ol

• ChemBase ID: 248206
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: O1C(CC(CC1)O)CC
• Canonical SMILES: CCC1CC(O)CCO1
• InChI: InChI=1S/C7H14O2/c1-2-7-5-6(8)3-4-9-7/h6-8H,2-5H2,1H3
• InChIKey: MXUDKCAUJBPFFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyloxan-4-ol
• IUPAC Traditional name: 2-ethyloxan-4-ol
• Synonyms: 2-ethyloxan-4-ol

Database IDs

• MDL Number: MFCD19650669
• PubChem SID: 164304116
• PubChem CID: 10240829

CALCULATED PROPERTIES

• Acid pKa: 15.102658
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.38170645
• LogD (pH = 7.4): 0.38170645
• Log P: 0.38170645
• Molar Refractivity: 35.6796 cm^3
• Polarizability: 14.211557 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.084

Product Information

• Purity: 95%