Cas no 824950-72-3 (Octadecanoic acid, 12-hydroxy-, undecyl ester)
824950-72-3 structure
Product Name:Octadecanoic acid, 12-hydroxy-, undecyl ester
CAS No:824950-72-3
MF:C29H58O3
MW:454.769030094147
CID:690086
PubChem ID:71418383
Update Time:2025-04-19
Octadecanoic acid, 12-hydroxy-, undecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 12-hydroxy-, undecyl ester
- undecyl 12-hydroxyoctadecanoate
- 824950-72-3
- DTXSID20837698
- SCHEMBL3149124
-
- Inchi： 1S/C29H58O3/c1-3-5-7-9-10-13-16-19-23-27-32-29(31)26-22-18-15-12-11-14-17-21-25-28(30)24-20-8-6-4-2/h28,30H,3-27H2,1-2H3
- InChI Key： FEGOAAHMERAQOI-UHFFFAOYSA-N
- SMILES： OC(CCCCCC)CCCCCCCCCCC(=O)OCCCCCCCCCCC
Computed Properties
- Exact Mass: 454.43859571g/mol
- Monoisotopic Mass: 454.43859571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 27
- Complexity: 369
- 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: 11.7
- Topological Polar Surface Area: 46.5?2
Octadecanoic acid, 12-hydroxy-, undecyl ester Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
824950-72-3 (Octadecanoic acid, 12-hydroxy-, undecyl ester) Related Products
- 108-29-2(gamma-Valerolactone)
- 110-38-3(Ethyl decanoate)
- 104-50-7(4-Octanolide)
- 104-67-6(4-Undecanolide)
- 106-32-1(Ethyl n-Caprylate)
- 104-61-0(rac-γ-Nonanolactone)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 123-29-5(Ethyl nonanoate)
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