ethyl 2-ethoxycyclopropane-1-carboxylate

• ChemBase ID: 258302
• Molecular Formular: C8H14O3
• Molecular Mass: 158.19496
• Monoisotopic Mass: 158.09429431
• SMILES: C1(CC1OCC)C(=O)OCC
• Canonical SMILES: CCOC1CC1C(=O)OCC
• InChI: InChI=1S/C8H14O3/c1-3-10-7-5-6(7)8(9)11-4-2/h6-7H,3-5H2,1-2H3
• InChIKey: KIIOJVVKDDBEBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-ethoxycyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl 2-ethoxycyclopropane-1-carboxylate
• Synonyms: ethyl 2-ethoxycyclopropane-1-carboxylate

Database IDs

• MDL Number: MFCD11857790
• PubChem SID: 164314212
• PubChem CID: 12731313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8282759
• LogD (pH = 7.4): 0.8282759
• Log P: 0.8282759
• Molar Refractivity: 40.5759 cm^3
• Polarizability: 16.226404 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.587

Product Information

• Purity: 95%