Cas no 102072-63-9 (Dimethyl Hexacos-13-enedioate)
Dimethyl Hexacos-13-enedioate structure
Product Name:Dimethyl Hexacos-13-enedioate
CAS No:102072-63-9
MF:C28H52O4
MW:452.710089683533
CID:1131788
PubChem ID:71332735
Update Time:2025-04-20
Dimethyl Hexacos-13-enedioate Chemical and Physical Properties
Names and Identifiers
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- Dimethyl Hexacos-13-enedioate
- DTXSID20761121
- 102072-63-9
-
- Inchi: 1S/C28H52O4/c1-31-27(29)25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28(30)32-2/h3-4H,5-26H2,1-2H3
- InChI Key: TVUDSSLUXVKYTM-UHFFFAOYSA-N
- SMILES: O(C)C(CCCCCCCCCCCC=CCCCCCCCCCCCC(=O)OC)=O
Computed Properties
- Exact Mass: 452.38676
- Monoisotopic Mass: 452.38656014g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 26
- Complexity: 405
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 10.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Dimethyl Hexacos-13-enedioate Related Literature
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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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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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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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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
102072-63-9 (Dimethyl Hexacos-13-enedioate) Related Products
- 111-81-9(Methyl undec-10-enoate)
- 112-63-0(Methyl linoleate)
- 143485-69-2(13-Docosenoic acid,9-octadecen-1-yl ester)
- 76649-16-6(Ethyl trans-4-decenoate)
- 142-77-8(Butyl Oleate)
- 112-62-9(Methyl oleate)
- 108321-49-9(9-Hexadecenoic acid,dodecyl ester, (9Z)-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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