Cas no 62746-98-9 (Nonadecanoic acid, 18,18-dimethyl-)
62746-98-9 structure
Product Name:Nonadecanoic acid, 18,18-dimethyl-
CAS No:62746-98-9
MF:C21H42O2
MW:326.556987285614
CID:433370
PubChem ID:71383228
Update Time:2025-04-19
Nonadecanoic acid, 18,18-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Nonadecanoic acid, 18,18-dimethyl-
- 18,18-dimethylnonadecanoic acid
- DTXSID70805564
- 62746-98-9
-
- Inchi： 1S/C21H42O2/c1-21(2,3)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(22)23/h4-19H2,1-3H3,(H,22,23)
- InChI Key： PXNSSVGVEXKKHS-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCCCCCC(C)(C)C)=O
Computed Properties
- Exact Mass: 326.31866
- Monoisotopic Mass: 326.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 17
- Complexity: 266
- 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
- XLogP3: 8.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Nonadecanoic acid, 18,18-dimethyl- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
62746-98-9 (Nonadecanoic acid, 18,18-dimethyl-) Related Products
- 1338-24-5(Naphthenic acids)
- 626-51-7(3-Methylglutaric acid)
- 4839-46-7(3,3-Dimethylglutaric Acid)
- 140-77-2(3-Cyclopentylpropionic acid)
- 646-07-1(4-Methylpentanoic acid)
- 1730-92-3((3S)-3-methylpentanoic acid)
- 1070-83-3(3,3-Dimethylbutyric acid)
- 3058-01-3(3-Methyladipic acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 105-43-1(3-methylpentanoic acid)
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