3-butoxy-2,2-dimethylcyclobutan-1-ol

• ChemBase ID: 285970
• Molecular Formular: C10H20O2
• Molecular Mass: 172.2646
• Monoisotopic Mass: 172.14632988
• SMILES: C1(C(CC1OCCCC)O)(C)C
• Canonical SMILES: CCCCOC1CC(C1(C)C)O
• InChI: InChI=1S/C10H20O2/c1-4-5-6-12-9-7-8(11)10(9,2)3/h8-9,11H,4-7H2,1-3H3
• InChIKey: WHKSHYVDDXUWES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-butoxy-2,2-dimethylcyclobutan-1-ol
• IUPAC Traditional name: 3-butoxy-2,2-dimethylcyclobutan-1-ol
• Synonyms: 3-butoxy-2,2-dimethylcyclobutan-1-ol

Database IDs

• MDL Number: MFCD21602678
• PubChem SID: 180671501
• PubChem CID: 66344784

CALCULATED PROPERTIES

• Log P: 1.7979503
• Molar Refractivity: 49.0399 cm^3
• Polarizability: 19.729067 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.70324
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7979503
• LogD (pH = 7.4): 1.7979503

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.647

Product Information

• Purity: 95%