Cas no 51354-72-4 (Butanoic acid, 4,4,4-triethoxy-, ethyl ester)
51354-72-4 structure
Product Name:Butanoic acid, 4,4,4-triethoxy-, ethyl ester
CAS No:51354-72-4
MF:C12H24O5
MW:248.315964698792
CID:362480
PubChem ID:13452377
Update Time:2025-04-19
Butanoic acid, 4,4,4-triethoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 4,4,4-triethoxy-, ethyl ester
- ethyl 4,4,4-triethoxybutanoate
- DTXSID10541257
- UBNHCANWQWKMSP-UHFFFAOYSA-N
- 51354-72-4
- SCHEMBL2208577
-
- Inchi： 1S/C12H24O5/c1-5-14-11(13)9-10-12(15-6-2,16-7-3)17-8-4/h5-10H2,1-4H3
- InChI Key： UBNHCANWQWKMSP-UHFFFAOYSA-N
- SMILES： O(CC)C(CCC(=O)OCC)(OCC)OCC
Computed Properties
- Exact Mass: 248.16242
- Monoisotopic Mass: 248.16237386g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 188
- 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: 1.5
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 53.99
Butanoic acid, 4,4,4-triethoxy-, ethyl ester Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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