methyl 3-methyloxetane-3-carboxylate

• ChemBase ID: 800589
• Molecular Formular: C6H10O3
• Molecular Mass: 130.1418
• Monoisotopic Mass: 130.06299418
• SMILES: O1CC(C1)(C(=O)OC)C
• Canonical SMILES: COC(=O)C1(C)COC1
• InChI: InChI=1S/C6H10O3/c1-6(3-9-4-6)5(7)8-2/h3-4H2,1-2H3
• InChIKey: SNJQLBQMKLNJPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-methyloxetane-3-carboxylate
• IUPAC Traditional name: methyl 3-methyloxetane-3-carboxylate
• Synonyms: METHYL 3-METHYLOXETANE-3-CARBOXYLATE

Database IDs

• CAS Number: 1260670-18-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.32224602
• LogD (pH = 7.4): 0.32224602
• Log P: 0.32224602
• Molar Refractivity: 31.1545 cm^3
• Polarizability: 12.574146 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%