(2,2-dimethyloxan-4-yl)methanol

• ChemBase ID: 308813
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: C1(OCCC(C1)CO)(C)C
• Canonical SMILES: OCC1CCOC(C1)(C)C
• InChI: InChI=1S/C8H16O2/c1-8(2)5-7(6-9)3-4-10-8/h7,9H,3-6H2,1-2H3
• InChIKey: IHXUJOUBCCPWGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-dimethyloxan-4-yl)methanol
• IUPAC Traditional name: (2,2-dimethyloxan-4-yl)methanol
• Synonyms: (2,2-dimethyltetrahydro-2H-pyran-4-yl)methanol

Database IDs

• CAS Number: 50675-23-5
• MDL Number: MFCD11054023

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.60036147
• LogD (pH = 7.4): 0.60036147
• Log P: 0.60036147
• Molar Refractivity: 40.6118 cm^3
• Polarizability: 16.049152 Å^3
• Polar Surface Area: 29.46 Å^2