Cas no 72429-04-0 (Cyclopentanepropanoicacid, b-butyl-2-oxo-, methyl ester)
72429-04-0 structure
Product Name:Cyclopentanepropanoicacid, b-butyl-2-oxo-, methyl ester
CAS No:72429-04-0
MF:C13H22O3
MW:226.311984539032
CID:576475
PubChem ID:3085815
Update Time:2025-04-19
Cyclopentanepropanoicacid, b-butyl-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanepropanoicacid, b-butyl-2-oxo-, methyl ester
- methyl (3S)-3-[(1S)-2-oxocyclopentyl]heptanoate
- β-Butyl-2-oxocyclopentanepropanoic acid methyl ester
- Cyclopentanepropanoic acid, beta-butyl-2-oxo-, methyl ester
- 72429-04-0
-
- Inchi： 1S/C13H22O3/c1-3-4-6-10(9-13(15)16-2)11-7-5-8-12(11)14/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1
- InChI Key： JZAXFOYWGKXZDF-QWRGUYRKSA-N
- SMILES： O=C1CCC[C@H]1[C@H](CC(=O)OC)CCCC
Computed Properties
- Exact Mass: 226.15696
- Monoisotopic Mass: 226.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Cyclopentanepropanoicacid, b-butyl-2-oxo-, methyl ester Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
72429-04-0 (Cyclopentanepropanoicacid, b-butyl-2-oxo-, methyl ester) Related Products
- 24851-98-7(Methyl dihydrojasmonate)
- 158474-72-7(Prohydrojasmon racemate)
- 13672-64-5(Methyl 2-(2-oxocyclohexyl)acetate)
- 17607-00-0(Methyl 4-oxocycloheptanecarboxylate)
- 20826-94-2(ethyl 2-(2-oxocyclopentyl)acetate)
- 10472-24-9(methyl 2-oxocyclopentane-1-carboxylate)
- 39265-95-7(Methyl 3-acetyl-4-oxopentanoate)
- 13984-53-7(Methyl 4-acetyl-5-oxohexanoate)
- 2630-39-9((-) Methyl Dihydrojasmonate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
Recommended suppliers
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
