1,1-diethyl 3-(benzyloxy)cyclopentane-1,1-dicarboxylate

• ChemBase ID: 811803
• Molecular Formular: C18H24O5
• Molecular Mass: 320.38016
• Monoisotopic Mass: 320.16237387
• SMILES: C1(CC(CC1)OCc1ccccc1)(C(=O)OCC)C(=O)OCC
• Canonical SMILES: CCOC(=O)C1(CCC(C1)OCc1ccccc1)C(=O)OCC
• InChI: InChI=1S/C18H24O5/c1-3-21-16(19)18(17(20)22-4-2)11-10-15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
• InChIKey: DUDIGEJQZDJOPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diethyl 3-(benzyloxy)cyclopentane-1,1-dicarboxylate
• IUPAC Traditional name: 1,1-diethyl 3-(benzyloxy)cyclopentane-1,1-dicarboxylate
• Synonyms: DIETHYL 3-(BENZYLOXY)CYCLOPENTANE-1,1-DICARBOXYLATE

Database IDs

• CAS Number: 191110-64-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.17958
• LogD (pH = 7.4): 3.17958
• Log P: 3.17958
• Molar Refractivity: 85.5318 cm^3
• Polarizability: 33.93282 Å^3
• Polar Surface Area: 61.83 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%