Cas no 88199-31-9 (Cyclopentaneheptanoic acid, 2-butyl-5-oxo-, ethyl ester, trans-)
88199-31-9 structure
Product Name:Cyclopentaneheptanoic acid, 2-butyl-5-oxo-, ethyl ester, trans-
CAS No:88199-31-9
MF:C18H32O3
MW:296.444886207581
CID:641455
PubChem ID:71410090
Update Time:2025-04-19
Cyclopentaneheptanoic acid, 2-butyl-5-oxo-, ethyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentaneheptanoic acid, 2-butyl-5-oxo-, ethyl ester, trans-
- ethyl 7-[(1S,2R)-2-butyl-5-oxocyclopentyl]heptanoate
- 88199-31-9
- DTXSID70829785
-
- Inchi： 1S/C18H32O3/c1-3-5-10-15-13-14-17(19)16(15)11-8-6-7-9-12-18(20)21-4-2/h15-16H,3-14H2,1-2H3/t15-,16+/m1/s1
- InChI Key： JPAXQKOVDPWFII-CVEARBPZSA-N
- SMILES： O=C1CC[C@@H](CCCC)[C@@H]1CCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 296.23514488g/mol
- Monoisotopic Mass: 296.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 312
- 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: 5
- Topological Polar Surface Area: 43.4?2
Cyclopentaneheptanoic acid, 2-butyl-5-oxo-, ethyl ester, trans- Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
88199-31-9 (Cyclopentaneheptanoic acid, 2-butyl-5-oxo-, ethyl ester, trans-) Related Products
- 24851-98-7(Methyl dihydrojasmonate)
- 158474-72-7(Prohydrojasmon racemate)
- 2832-10-2(Ethyl 4-acetyl-5-oxohexanoate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 17159-79-4(4-(Ethoxycarbonyl)-1-cyclohexanone)
- 18835-02-4(Ethyl 3-acetyl-4-oxopentanoate)
- 24922-00-7(Ethyl 3-cyclopentyl-3-oxopropanoate)
- 20826-94-2(ethyl 2-(2-oxocyclopentyl)acetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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