Cas no 2049-66-3 (Diethyl 2-ethyl-2-propan-2-ylpropanedioate)
2049-66-3 structure
Product Name:Diethyl 2-ethyl-2-propan-2-ylpropanedioate
CAS No:2049-66-3
MF:C12H22O4
MW:230.300684452057
CID:1393856
PubChem ID:221029
Update Time:2025-04-20
Diethyl 2-ethyl-2-propan-2-ylpropanedioate Chemical and Physical Properties
Names and Identifiers
-
- Diethyl 2-ethyl-2-propan-2-ylpropanedioate
- ZINC01680353
- CTK4E4354
- ethyl-isopropyl-malonic acid diethyl ester
- AC1Q63R5
- Aethyl-isopropyl-malonsaeure-diaethylester
- Isopropyl-ethyl-malonsaeure-diethylester
- ethyl(1-methylethyl)-propanedioic acid,diethyl ester
- AC1L59O9
- AR-1I4685
- AG-J-32232
- 2-Ethyl-2-isopropyl-malonsaeure-diethylester
- Diethyl 2-isopropyl-2-ethylmalonat
- diethyl ethyl(isopropyl)malonate
- NSC4695
- ZINC01680353; CTK4E4354; ethyl-isopropyl-malonic acid diethyl ester; AC1Q63R5; Aethyl-isopropyl-malonsaeure-diaethylester; Isopropyl-ethyl-malonsaeure-diethylester; ethyl(1-methylethyl)-propanedioic acid,diethyl ester; AC1L59O9; AR-1I4685; AG-J-32232; 2-Ethyl-2-isopropyl-malonsaeure-diethylester; Diethyl 2-isopropyl-2-ethylmalonat; diethyl ethyl(isopropyl)malonate; NSC4695;
- NSC-4695
- 2049-66-3
- DTXSID00277896
-
- Inchi： 1S/C12H22O4/c1-6-12(9(4)5,10(13)15-7-2)11(14)16-8-3/h9H,6-8H2,1-5H3
- InChI Key： KRUDPAOHEFAZDK-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC)C(C)C)=O
Computed Properties
- Exact Mass: 230.15186
- Monoisotopic Mass: 230.15180918g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
- LogP: 2.16500
Diethyl 2-ethyl-2-propan-2-ylpropanedioate Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
2049-66-3 (Diethyl 2-ethyl-2-propan-2-ylpropanedioate) Related Products
- 27132-23-6(Dimethyl diethylmalonate)
- 3779-29-1(1,1-diethyl cyclobutane-1,1-dicarboxylate)
- 14035-96-2(Dimethyl 2-propylmalonate)
- 7459-46-3(1,1,2-triethyl ethane-1,1,2-tricarboxylate)
- 133-13-1(1,3-diethyl 2-ethylpropanedioate)
- 596-75-8(Diethyl dibutylmalonate)
- 1559-02-0(Diethyl 1,1-cyclopropanedicarboxylate)
- 2163-48-6(Diethyl propylmalonate)
- 10203-58-4(Diethyl isobutylmalonate)
- 759-36-4(Diethyl isopropylmalonate)
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