Cas no 53696-26-7 (Heptadecanoic acid, 4-methyl-)
Heptadecanoic acid, 4-methyl- structure
Product Name:Heptadecanoic acid, 4-methyl-
CAS No:53696-26-7
MF:C18H36O2
MW:284.477246284485
CID:356649
PubChem ID:5319673
Update Time:2025-04-19
Heptadecanoic acid, 4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptadecanoic acid, 4-methyl-
- 4-methylheptadecanoic acid
- DTXSID00415756
- 53696-26-7
- 4-Methyl heptadecanoic acid
-
- Inchi： 1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(19)20/h17H,3-16H2,1-2H3,(H,19,20)
- InChI Key： YJSYQGRKJYFNIE-UHFFFAOYSA-N
- SMILES： OC(CCC(C)CCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 284.27168
- Monoisotopic Mass: 284.271530387g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 15
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Heptadecanoic acid, 4-methyl- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
53696-26-7 (Heptadecanoic acid, 4-methyl-) Related Products
- 1338-24-5(Naphthenic acids)
- 626-51-7(3-Methylglutaric acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 503-74-2(Isovaleric acid)
- 1703-58-8(1,2,3,4-Butanetetracarboxylic acid)
- 1188-02-9(2-Methylheptanoic acid)
- 1460-16-8(Cycloheptanecarboxylic acid)
- 105-43-1(3-methylpentanoic acid)
- 99-66-1(Valproic acid)
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