Cas no 188777-76-6 (11-Ethenyl-5,14-dimethyloctadec-8-enedioic acid)
188777-76-6 structure
Product Name:11-Ethenyl-5,14-dimethyloctadec-8-enedioic acid
CAS No:188777-76-6
MF:C22H38O4
MW:366.534727573395
CID:2785841
PubChem ID:71348445
Update Time:2025-04-21
11-Ethenyl-5,14-dimethyloctadec-8-enedioic acid Chemical and Physical Properties
Names and Identifiers
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- 11-ETHENYL-5,14-DIMETHYLOCTADEC-8-ENEDIOIC ACID
- DTXSID70774342
- 188777-76-6
- 11-Ethenyl-5,14-dimethyloctadec-8-enedioic acid
-
- Inchi： 1S/C22H38O4/c1-4-20(17-16-19(3)12-9-15-22(25)26)13-7-5-6-10-18(2)11-8-14-21(23)24/h4-5,7,18-20H,1,6,8-17H2,2-3H3,(H,23,24)(H,25,26)
- InChI Key： LUKGXQJRYVIIIY-UHFFFAOYSA-N
- SMILES： OC(CCCC(C)CCC(C=C)CC=CCCC(C)CCCC(=O)O)=O
Computed Properties
- Exact Mass: 366.27700969Da
- Monoisotopic Mass: 366.27700969Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 17
- Complexity: 428
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.4
- Topological Polar Surface Area: 74.6?2
11-Ethenyl-5,14-dimethyloctadec-8-enedioic acid 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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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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