ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate

• ChemBase ID: 281387
• Molecular Formular: C9H16O3
• Molecular Mass: 172.22154
• Monoisotopic Mass: 172.10994437
• SMILES: C1(C(C1C)OCC)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1C(C1C)OCC
• InChI: InChI=1S/C9H16O3/c1-4-11-8-6(3)7(8)9(10)12-5-2/h6-8H,4-5H2,1-3H3
• InChIKey: BEEHYERTKDYDLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl 2-ethoxy-3-methylcyclopropane-1-carboxylate
• Synonyms: ethyl 2-ethoxy-3-methylcyclopropanecarboxylate

Database IDs

• MDL Number: MFCD11858175
• PubChem SID: 180666918
• PubChem CID: 43811021

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.1932487
• LogD (pH = 7.4): 1.1932487
• Log P: 1.1932487
• Molar Refractivity: 45.0475 cm^3
• Polarizability: 18.057873 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.566

Product Information

• Purity: 95%