Cas no 819792-11-5 (Carbonic acid, bis(2-ethylbutyl) ester)
819792-11-5 structure
Product Name:Carbonic acid, bis(2-ethylbutyl) ester
CAS No:819792-11-5
MF:C13H26O3
MW:230.343744754791
CID:702465
PubChem ID:11218481
Update Time:2025-04-19
Carbonic acid, bis(2-ethylbutyl) ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, bis(2-ethylbutyl) ester
- bis(2-ethylbutyl) carbonate
- di(2-ethylbutyl)carbonate
- DTXSID30459108
- 819792-11-5
- SCHEMBL730130
-
- Inchi： 1S/C13H26O3/c1-5-11(6-2)9-15-13(14)16-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3
- InChI Key： JTMPOYHOKNOLNQ-UHFFFAOYSA-N
- SMILES： O(C(=O)OCC(CC)CC)CC(CC)CC
Computed Properties
- Exact Mass: 230.18800
- Monoisotopic Mass: 230.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 10
- Complexity: 154
- 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: 4.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53000
- LogP: 4.01200
Carbonic acid, bis(2-ethylbutyl) ester Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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