2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-ol

• ChemBase ID: 277423
• Molecular Formular: C10H20O2
• Molecular Mass: 172.2646
• Monoisotopic Mass: 172.14632988
• SMILES: C1(C(CC1O)OCC(C)C)(C)C
• Canonical SMILES: CC(COC1CC(C1(C)C)O)C
• InChI: InChI=1S/C10H20O2/c1-7(2)6-12-9-5-8(11)10(9,3)4/h7-9,11H,5-6H2,1-4H3
• InChIKey: KDSKQVLSVNTWCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-ol
• IUPAC Traditional name: 2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-ol
• Synonyms: 2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-ol

Database IDs

• MDL Number: MFCD19686438
• PubChem SID: 164333333
• PubChem CID: 53621924

CALCULATED PROPERTIES

• Acid pKa: 14.703239
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7183545
• LogD (pH = 7.4): 1.7183543
• Log P: 1.7183545
• Molar Refractivity: 48.9105 cm^3
• Polarizability: 19.729067 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.517

Product Information

• Purity: 95%