Cas no 4095-03-8 ( )
structure
Product Name:
CAS No:4095-03-8
MF:C16H26O5
MW:298.374645709991
CID:926415
PubChem ID:317753
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Bis-(2-aethoxycarbonyl-aethyl)-cyclohexanon; AC1L7WNT; ethyl 3-[3-(2-ethoxycarbonylethyl)-2-oxo-cyclohexyl]propanoate; CTK1D6619; 2-OXO-1, DIETHYL ESTER; AC1Q34RI; 2,5-Bis-(2-aethoxycarbonyl-aethyl)-cyclohexanon; NSC251079; SureCN10642886;
- DIETHYL 2-OXO-1,3-CYCLOHEXANEDIPROPIONATE
- NSC251079
- ethyl 3-[3-(2-ethoxycarbonylethyl)-2-oxo-cyclohexyl]propanoate
- SCHEMBL10642886
- 4095-03-8
- AKOS024323881
- NSC-251079
- DTXSID70312203
- DS-011014
- 2-OXO-1, DIETHYL ESTER
- Diethyl 3,3'-(2-oxocyclohexane-1,3-diyl)dipropanoate
-
-
- Inchi： 1S/C16H26O5/c1-3-20-14(17)10-8-12-6-5-7-13(16(12)19)9-11-15(18)21-4-2/h12-13H,3-11H2,1-2H3
- InChI Key： SXEGZONRXURZQK-UHFFFAOYSA-N
- SMILES： O=C1C(CCC(=O)OCC)CCCC1CCC(=O)OCC
Computed Properties
- Exact Mass: 298.17808
- Monoisotopic Mass: 298.17802393g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 10
- Complexity: 332
- 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: 2.1
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
4095-03-8 ( ) Related Products
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 13148-83-9(Methyl 3-oxocyclohexanecarboxylate)
- 2832-10-2(Ethyl 4-acetyl-5-oxohexanoate)
- 17351-22-3(Diethyl trans-1,2-Cyclohexanedicarboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 17159-79-4(4-(Ethoxycarbonyl)-1-cyclohexanone)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 20826-94-2(ethyl 2-(2-oxocyclopentyl)acetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
Recommended suppliers
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk