Cas no 78059-14-0 (8,12-Eicosadienedioicacid, 8,13-dimethyl-)
78059-14-0 structure
Product Name:8,12-Eicosadienedioicacid, 8,13-dimethyl-
CAS No:78059-14-0
MF:C22H38O4
MW:366.534727573395
CID:567941
PubChem ID:53427752
Update Time:2025-04-19
8,12-Eicosadienedioicacid, 8,13-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 8,12-Eicosadienedioicacid, 8,13-dimethyl-
- 7,12-Dimethyl-7,11-octadecadiene-1,18-dicarboxylic acid
- 8,13-dimethylicosa-8,12-dienedioic acid
- 8,13-Dimethyleicosa-8,12-dienedioic acid
- IPU 22
- DTXSID60699631
- 78059-14-0
-
- Inchi： 1S/C22H38O4/c1-19(13-7-3-5-9-17-21(23)24)15-11-12-16-20(2)14-8-4-6-10-18-22(25)26/h15-16H,3-14,17-18H2,1-2H3,(H,23,24)(H,25,26)
- InChI Key： VNXKEQYMBSFLJJ-UHFFFAOYSA-N
- SMILES： OC(CCCCCCC(C)=CCCC=C(C)CCCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 366.27700969g/mol
- Monoisotopic Mass: 366.27700969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 17
- Complexity: 407
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 6.9
- Topological Polar Surface Area: 74.6?2
8,12-Eicosadienedioicacid, 8,13-dimethyl- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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