Cas no 24126-63-4 (Butanedioic acid,2-methylene-, 1,4-didocosyl ester)
24126-63-4 structure
Product Name:Butanedioic acid,2-methylene-, 1,4-didocosyl ester
CAS No:24126-63-4
MF:C49H94O4
MW:747.268276691437
CID:240400
PubChem ID:23110386
Update Time:2025-04-19
Butanedioic acid,2-methylene-, 1,4-didocosyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-methylene-, 1,4-didocosyl ester
- BEHENYL ITACONATE
- 1-Docosanol, methylenesuccinate (2:1) (8CI)
- Butanedioicacid, methylene-, didocosyl ester (9CI)
- Succinic acid, methylene-, didocosylester (8CI)
- SCHEMBL892067
- GXSMMTZNCQUMPG-UHFFFAOYSA-N
- 24126-63-4
- dibehenyl itaconate
- didocosyl 2-methylenesuccinate
- AKIYAMASREAGENT
-
- Inchi： 1S/C49H94O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-52-48(50)46-47(3)49(51)53-45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h3-46H2,1-2H3
- InChI Key： GXSMMTZNCQUMPG-UHFFFAOYSA-N
- SMILES： O(C(CC(=C)C(=O)OCCCCCCCCCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 746.71500
- Monoisotopic Mass: 746.715
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 53
- Rotatable Bond Count: 47
- Complexity: 762
- 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
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 22.5
Experimental Properties
- PSA: 52.60000
- LogP: 16.66290
Butanedioic acid,2-methylene-, 1,4-didocosyl ester Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
24126-63-4 (Butanedioic acid,2-methylene-, 1,4-didocosyl ester) Related Products
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