1,1-dimethyl 2-benzoyl-3-(3,4-dimethoxyphenyl)-2-ethylcyclopropane-1,1-dicarboxylate

• ChemBase ID: 192422
• Molecular Formular: C24H26O7
• Molecular Mass: 426.45904
• Monoisotopic Mass: 426.16785317
• SMILES: C1(C(C1c1cc(c(cc1)OC)OC)(C(=O)c1ccccc1)CC)(C(=O)OC)C(=O)OC
• Canonical SMILES: COC(=O)C1(C(=O)OC)C(C1(CC)C(=O)c1ccccc1)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C24H26O7/c1-6-23(20(25)15-10-8-7-9-11-15)19(24(23,21(26)30-4)22(27)31-5)16-12-13-17(28-2)18(14-16)29-3/h7-14,19H,6H2,1-5H3
• InChIKey: URTLBBWCDYSYFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dimethyl 2-benzoyl-3-(3,4-dimethoxyphenyl)-2-ethylcyclopropane-1,1-dicarboxylate
• IUPAC Traditional name: 1,1-dimethyl 2-benzoyl-3-(3,4-dimethoxyphenyl)-2-ethylcyclopropane-1,1-dicarboxylate

Database IDs

• PubChem SID: 164248332
• PubChem CID: 632638

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.6789925
• LogD (pH = 7.4): 3.6789925
• Log P: 3.6789925
• Molar Refractivity: 112.5283 cm^3
• Polarizability: 44.257607 Å^3
• Polar Surface Area: 88.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds