1,1-dimethoxycyclobutane

• ChemBase ID: 248462
• Molecular Formular: C6H12O2
• Molecular Mass: 116.15828
• Monoisotopic Mass: 116.08372962
• SMILES: C1(OC)(OC)CCC1
• Canonical SMILES: COC1(OC)CCC1
• InChI: InChI=1S/C6H12O2/c1-7-6(8-2)4-3-5-6/h3-5H2,1-2H3
• InChIKey: LLZPXMCHUMPYRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethoxycyclobutane
• IUPAC Traditional name: 1,1-dimethoxycyclobutane
• Synonyms: 1,1-dimethoxycyclobutane

Database IDs

• PubChem SID: 164304372
• PubChem CID: 13049977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.0307221
• LogD (pH = 7.4): 1.0307221
• Log P: 1.0307221
• Molar Refractivity: 31.264 cm^3
• Polarizability: 12.446784 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.659

Product Information

• Purity: 95%