Cas no 5239-91-8 (Cyclopentaneheptanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester)
5239-91-8 structure
Product Name:Cyclopentaneheptanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester
CAS No:5239-91-8
MF:C17H28O5
MW:312.401226043701
CID:359720
PubChem ID:13046295
Update Time:2025-04-19
Cyclopentaneheptanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentaneheptanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester
- ethyl 1-(7-ethoxy-7-oxoheptyl)-2-oxocyclopentane-1-carboxylate
- DTXSID80516250
- SCHEMBL11855720
- 2-carbethoxy-2-(6-carbethoxyhexyl)-cyclopentanone
- JJFBQYBFBRTIEV-UHFFFAOYSA-N
- 5239-91-8
-
- Inchi： 1S/C17H28O5/c1-3-21-15(19)11-7-5-6-8-12-17(16(20)22-4-2)13-9-10-14(17)18/h3-13H2,1-2H3
- InChI Key： JJFBQYBFBRTIEV-UHFFFAOYSA-N
- SMILES： O=C1CCCC1(C(=O)OCC)CCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 312.19374
- Monoisotopic Mass: 312.19367399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 12
- Complexity: 391
- 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: 3.2
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Cyclopentaneheptanoic acid, 1-(ethoxycarbonyl)-2-oxo-, ethyl ester Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
5239-91-8 (Cyclopentaneheptanoic 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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