3-methoxy-2,2,3-trimethylcyclobutan-1-ol

• ChemBase ID: 241711
• Molecular Formular: C8H16O2
• Molecular Mass: 144.21144
• Monoisotopic Mass: 144.11502975
• SMILES: C1(C(CC1O)(OC)C)(C)C
• Canonical SMILES: COC1(C)CC(C1(C)C)O
• InChI: InChI=1S/C8H16O2/c1-7(2)6(9)5-8(7,3)10-4/h6,9H,5H2,1-4H3
• InChIKey: WXFNPCZRWOCQBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2,2,3-trimethylcyclobutan-1-ol
• IUPAC Traditional name: 3-methoxy-2,2,3-trimethylcyclobutan-1-ol
• Synonyms: 3-methoxy-2,2,3-trimethylcyclobutan-1-ol

Database IDs

• MDL Number: MFCD22565902
• PubChem SID: 164297621
• PubChem CID: 71756846

CALCULATED PROPERTIES

• Acid pKa: 14.68619
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7546279
• LogD (pH = 7.4): 0.7546279
• Log P: 0.7546279
• Molar Refractivity: 39.8045 cm^3
• Polarizability: 16.049152 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.719

Product Information

• Purity: 95%