Cas no 5416-54-6 (2-Butenedioicacid, 2-ethoxy-, 1,4-diethyl ester, (2E)-)
5416-54-6 structure
Product Name:2-Butenedioicacid, 2-ethoxy-, 1,4-diethyl ester, (2E)-
CAS No:5416-54-6
MF:C10H16O5
MW:216.231043815613
CID:386018
PubChem ID:6376033
Update Time:2025-04-19
2-Butenedioicacid, 2-ethoxy-, 1,4-diethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioicacid, 2-ethoxy-, 1,4-diethyl ester, (2E)-
- diethyl 2-ethoxybut-2-enedioate
- NSC6834
- 5416-54-6
- SCHEMBL16683363
- NSC-6834
-
- Inchi： 1S/C10H16O5/c1-4-13-8(10(12)15-6-3)7-9(11)14-5-2/h7H,4-6H2,1-3H3/b8-7+
- InChI Key： LAXJAKSCEPOBCW-BQYQJAHWSA-N
- SMILES： O(CC)/C(/C(=O)OCC)=C/C(=O)OCC
Computed Properties
- Exact Mass: 216.09978
- Monoisotopic Mass: 216.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 244
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
2-Butenedioicacid, 2-ethoxy-, 1,4-diethyl ester, (2E)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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