ethyl 2-benzylcyclopropane-1-carboxylate

• ChemBase ID: 279472
• Molecular Formular: C13H16O2
• Molecular Mass: 204.26494
• Monoisotopic Mass: 204.11502975
• SMILES: C1(C(C1)C(=O)OCC)Cc1ccccc1
• Canonical SMILES: CCOC(=O)C1CC1Cc1ccccc1
• InChI: InChI=1S/C13H16O2/c1-2-15-13(14)12-9-11(12)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3
• InChIKey: KOACXUOASKUNMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00019222
• PubChem SID: 164335382
• PubChem CID: 251471

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9245443
• LogD (pH = 7.4): 2.9245443
• Log P: 2.9245443
• Molar Refractivity: 58.8052 cm^3
• Polarizability: 23.254778 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.232

Product Information

• Purity: 95%