Cas no 5979-98-6 (Docosanoic acid, octylester)
Docosanoic acid, octylester structure
Product Name:Docosanoic acid, octylester
Docosanoic acid, octylester Chemical and Physical Properties
Names and Identifiers
-
- Docosanoic acid, octylester
- Octyl docosanoate
- 1-Octyldocosanoate
- DTXSID40208523
- NS00034239
- W-110075
- EINECS 227-788-0
- SCHEMBL542304
- Docosanoic acid, n.-octyl ester
- MWSXIWIELAIOBE-UHFFFAOYSA-N
- 5979-98-6
-
- Inchi： 1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h3-29H2,1-2H3
- InChI Key： MWSXIWIELAIOBE-UHFFFAOYSA-N
- SMILES： O(CCCCCCCC)C(CCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 452.4596
- Monoisotopic Mass: 452.45933115g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 28
- Complexity: 353
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 14.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Docosanoic acid, octylester Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
5979-98-6 (Docosanoic acid, octylester) Related Products
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