methyl 2-cyclopropylacetate

• ChemBase ID: 234825
• Molecular Formular: C6H10O2
• Molecular Mass: 114.1424
• Monoisotopic Mass: 114.06807956
• SMILES: C1(CC1)CC(=O)OC
• Canonical SMILES: COC(=O)CC1CC1
• InChI: InChI=1S/C6H10O2/c1-8-6(7)4-5-2-3-5/h5H,2-4H2,1H3
• InChIKey: CRBILHZMYDIQRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-cyclopropylacetate
• IUPAC Traditional name: methyl 2-cyclopropylacetate
• Synonyms: methyl 2-cyclopropylacetate

Database IDs

• MDL Number: MFCD12031699
• PubChem SID: 164290735
• PubChem CID: 317679

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.89094603
• LogD (pH = 7.4): 0.89094603
• Log P: 0.89094603
• Molar Refractivity: 29.3871 cm^3
• Polarizability: 11.834835 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.155

Product Information

• Purity: 95%