Cas no 87682-82-4 (Cyclopentanecarboxylic acid, 2-butyl-5-oxo-, methyl ester)
87682-82-4 structure
Product Name:Cyclopentanecarboxylic acid, 2-butyl-5-oxo-, methyl ester
CAS No:87682-82-4
MF:C11H18O3
MW:198.258823871613
CID:653581
PubChem ID:71412365
Update Time:2025-04-19
Cyclopentanecarboxylic acid, 2-butyl-5-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylic acid, 2-butyl-5-oxo-, methyl ester
- methyl 2-butyl-5-oxocyclopentane-1-carboxylate
- DTXSID20831919
- 87682-82-4
-
- Inchi： 1S/C11H18O3/c1-3-4-5-8-6-7-9(12)10(8)11(13)14-2/h8,10H,3-7H2,1-2H3
- InChI Key： CRRYYQBOJPIZCL-UHFFFAOYSA-N
- SMILES： O=C1CCC(CCCC)C1C(=O)OC
Computed Properties
- Exact Mass: 198.125594432g/mol
- Monoisotopic Mass: 198.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 223
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 43.4?2
Cyclopentanecarboxylic acid, 2-butyl-5-oxo-, methyl ester Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
87682-82-4 (Cyclopentanecarboxylic acid, 2-butyl-5-oxo-, methyl ester) Related Products
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 24851-98-7(Methyl dihydrojasmonate)
- 10420-33-4(1,4-dimethyl 2-acetylbutanedioate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 24922-00-7(Ethyl 3-cyclopentyl-3-oxopropanoate)
- 32249-35-7(Methyl 3-cyclopropyl-3-oxopropanoate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 42558-54-3(Methyl 4-methyl-3-oxopentanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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