Cas no 174706-98-0 (Carbonic acid, (2E)-1-ethyl-2-pentenyl methyl ester)
174706-98-0 structure
Product Name:Carbonic acid, (2E)-1-ethyl-2-pentenyl methyl ester
CAS No:174706-98-0
MF:C9H16O3
MW:172.221543312073
CID:1360415
PubChem ID:71353492
Update Time:2025-04-20
Carbonic acid, (2E)-1-ethyl-2-pentenyl methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid, (2E)-1-ethyl-2-pentenyl methyl ester
- hept-4-en-3-yl methyl carbonate
- DTXSID70778229
- 174706-98-0
-
- Inchi： 1S/C9H16O3/c1-4-6-7-8(5-2)12-9(10)11-3/h6-8H,4-5H2,1-3H3
- InChI Key： AUZDLHOKAMZBFX-UHFFFAOYSA-N
- SMILES： O(C(=O)OC)C(C=CCC)CC
Computed Properties
- Exact Mass: 172.10998
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 152
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.8
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Carbonic acid, (2E)-1-ethyl-2-pentenyl methyl ester Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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