(4-ethyloxan-4-yl)methanol

• ChemBase ID: 248580
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: C1(CO)(CC)CCOCC1
• Canonical SMILES: CCC1(CO)CCOCC1
• InChI: InChI=1S/C8H16O2/c1-2-8(7-9)3-5-10-6-4-8/h9H,2-7H2,1H3
• InChIKey: RIAJNPRZPWPQCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethyloxan-4-yl)methanol
• IUPAC Traditional name: (4-ethyloxan-4-yl)methanol
• Synonyms: (4-ethyloxan-4-yl)methanol

Database IDs

• MDL Number: MFCD21670770
• PubChem SID: 164304490
• PubChem CID: 66024089

CALCULATED PROPERTIES

• Acid pKa: 15.102734
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7257793
• LogD (pH = 7.4): 0.7257793
• Log P: 0.7257793
• Molar Refractivity: 40.5539 cm^3
• Polarizability: 16.049152 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.535

Product Information

• Purity: 95%