(2-methyloxan-4-yl)methanol

• ChemBase ID: 247864
• Molecular Formular: C7H14O2
• Molecular Mass: 130.18486
• Monoisotopic Mass: 130.09937969
• SMILES: O1C(CC(CO)CC1)C
• Canonical SMILES: OCC1CCOC(C1)C
• InChI: InChI=1S/C7H14O2/c1-6-4-7(5-8)2-3-9-6/h6-8H,2-5H2,1H3
• InChIKey: GHJBUFCOONHXFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyloxan-4-yl)methanol
• IUPAC Traditional name: (2-methyloxan-4-yl)methanol
• Synonyms: (2-methyloxan-4-yl)methanol

Database IDs

• MDL Number: MFCD21324332
• PubChem SID: 164303774
• PubChem CID: 22235159

CALCULATED PROPERTIES

• Acid pKa: 15.463121
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3197848
• LogD (pH = 7.4): 0.3197848
• Log P: 0.3197848
• Molar Refractivity: 35.9736 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): 0.0060

Product Information

• Purity: 95%