Cas no 52478-10-1 (Cyclopentanebutanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester)
52478-10-1 structure
Product Name:Cyclopentanebutanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester
CAS No:52478-10-1
MF:C14H22O5
MW:270.321485042572
CID:359522
PubChem ID:579780
Update Time:2025-04-19
Cyclopentanebutanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanebutanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester
- ethyl 1-(4-ethoxy-4-oxobutyl)-2-oxocyclopentane-1-carboxylate
- MOJUPEVHQPOVGJ-UHFFFAOYSA-N
- Cyclopentanecarboxylic acid, 1-(4-ethoxy-4-oxobutyl)-2-oxo-, ethyl ester
- Ethyl 1-(4-ethoxy-4-oxobutyl)-2-oxocyclopentanecarboxylate #
- 52478-10-1
- SCHEMBL10477317
- DTXSID00342210
-
- Inchi： 1S/C14H22O5/c1-3-18-12(16)8-6-10-14(13(17)19-4-2)9-5-7-11(14)15/h3-10H2,1-2H3
- InChI Key： MOJUPEVHQPOVGJ-UHFFFAOYSA-N
- SMILES： O=C1CCCC1(C(=O)OCC)CCCC(=O)OCC
Computed Properties
- Exact Mass: 270.14676
- Monoisotopic Mass: 270.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Cyclopentanebutanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
52478-10-1 (Cyclopentanebutanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 24922-00-7(Ethyl 3-cyclopentyl-3-oxopropanoate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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