Cas no 49827-44-3 (dimethyl 2,2-dimethylbutanedioate)
49827-44-3 structure
Product Name:dimethyl 2,2-dimethylbutanedioate
CAS No:49827-44-3
MF:C8H14O4
MW:174.194363117218
CID:2669367
PubChem ID:179562
Update Time:2025-04-21
dimethyl 2,2-dimethylbutanedioate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 2,2-dimethylbutanedioate
- 2,2-Dimethylbutanedioic acid dimethyl ester
- 2,2-Dimethyl-bernsteinsaeure-dimethylester
- 2,2-dimethyl-succinic acid dimethyl ester
- dimethyl 2,2-dimethylsuccinate
- G88819
- XDPQVTCYKCEWAT-UHFFFAOYSA-N
- Butanedioic acid, 2,2-dimethyl-, dimethyl ester
- SCHEMBL667169
- 49827-44-3
- Butanedioic acid, 2,2-dimethyl-, 1,4-dimethyl ester
- DTXSID90964425
-
- Inchi： 1S/C8H14O4/c1-8(2,7(10)12-4)5-6(9)11-3/h5H2,1-4H3
- InChI Key： XDPQVTCYKCEWAT-UHFFFAOYSA-N
- SMILES： O(C)C(C(C)(C)CC(=O)OC)=O
Computed Properties
- Exact Mass: 174.08900
- Monoisotopic Mass: 174.08920892Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 183
- 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: 0.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.60000
- LogP: 0.74870
dimethyl 2,2-dimethylbutanedioate Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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