Cas no 176101-58-9 (Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, ethyl ester)
176101-58-9 structure
Product Name:Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, ethyl ester
CAS No:176101-58-9
MF:C13H20O4
MW:240.295504570007
CID:1363127
PubChem ID:71353454
Update Time:2025-04-20
Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, ethyl ester
- ethyl 2-oxo-1-(3-oxopentyl)cyclopentane-1-carboxylate
- 176101-58-9
- DTXSID60778197
-
- Inchi： 1S/C13H20O4/c1-3-10(14)7-9-13(12(16)17-4-2)8-5-6-11(13)15/h3-9H2,1-2H3
- InChI Key： CTOFCZPSQYLEKW-UHFFFAOYSA-N
- SMILES： O=C1CCCC1(C(=O)OCC)CCC(CC)=O
Computed Properties
- Exact Mass: 240.1362
- Monoisotopic Mass: 240.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 321
- 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: 1.2
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, ethyl ester Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
176101-58-9 (Cyclopentanecarboxylic acid, 2-oxo-1-(3-oxopentyl)-, 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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