ethyl 2-butoxycyclopropane-1-carboxylate

• ChemBase ID: 281385
• Molecular Formular: C10H18O3
• Molecular Mass: 186.24812
• Monoisotopic Mass: 186.12559444
• SMILES: C1(CC1OCCCC)C(=O)OCC
• Canonical SMILES: CCCCOC1CC1C(=O)OCC
• InChI: InChI=1S/C10H18O3/c1-3-5-6-13-9-7-8(9)10(11)12-4-2/h8-9H,3-7H2,1-2H3
• InChIKey: GAGOQJCEVLDZDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-butoxycyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl 2-butoxycyclopropane-1-carboxylate
• Synonyms: ethyl 2-butoxycyclopropanecarboxylate

Database IDs

• MDL Number: MFCD11858173
• PubChem SID: 180666916
• PubChem CID: 11252421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.795367
• LogD (pH = 7.4): 1.795367
• Log P: 1.795367
• Molar Refractivity: 49.7009 cm^3
• Polarizability: 19.891783 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.105

Product Information

• Purity: 95%