Cas no 55655-77-1 (Propanedioic acid, 1,1-dimethylethyl 1-methylethyl ester)
55655-77-1 structure
Product Name:Propanedioic acid, 1,1-dimethylethyl 1-methylethyl ester
CAS No:55655-77-1
MF:C10H18O4
MW:202.247523784637
CID:351272
PubChem ID:13980746
Update Time:2025-04-19
Propanedioic acid, 1,1-dimethylethyl 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, 1,1-dimethylethyl 1-methylethyl ester
- 3-O-tert-butyl 1-O-propan-2-yl propanedioate
- DTXSID10553734
- SCHEMBL8912333
- tert-Butyl isopropyl malonate
- tert-Butyl propan-2-yl propanedioate
- 55655-77-1
-
- Inchi： 1S/C10H18O4/c1-7(2)13-8(11)6-9(12)14-10(3,4)5/h7H,6H2,1-5H3
- InChI Key： CXJXCHUNZLJOEV-UHFFFAOYSA-N
- SMILES： O(C(CC(=O)OC(C)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 202.12054
- Monoisotopic Mass: 202.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 213
- 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: 1.9
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, 1,1-dimethylethyl 1-methylethyl ester Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
55655-77-1 (Propanedioic acid, 1,1-dimethylethyl 1-methylethyl ester) Related Products
- 40052-13-9(Mono-tert-butyl Malonate)
- 92828-40-5(2-(tert-Butoxycarbonyl)malonic acid dimethyl ester)
- 42726-73-8(1-tert-butyl 3-methyl propanedioate)
- 59854-11-4(tert-Butyl 3-Hydroxypropanoate)
- 13195-64-7(1,3-bis(propan-2-yl) propanedioate)
- 541-16-2(ditert-butyl propanedioate)
- 32864-38-3(1-tert-butyl 3-ethyl propanedioate)
- 518044-32-1(Tert-butyl 1-hydroxy-3,6,9,12-tetraoxapentadecan-15-oate)
- 186020-66-6(Tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate)
- 133803-81-3(Tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate)
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