Cas no 100231-69-4 (Copper,(tert-decanoato-O)(2-ethylhexanoato-O)- (9CI))
100231-69-4 structure
Product Name:Copper,(tert-decanoato-O)(2-ethylhexanoato-O)- (9CI)
CAS No:100231-69-4
MF:C18H36CuO4
MW:380.022047996521
CID:231549
PubChem ID:113562
Update Time:2025-04-19
Copper,(tert-decanoato-O)(2-ethylhexanoato-O)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Copper,(tert-decanoato-O)(2-ethylhexanoato-O)- (9CI)
- (tert-Decanoato-O)(2-ethylhexanoato-O)copper
- 2,2,3,4,4-pentamethylpentanoic acid
- 2-ethylhexanoic acid
- copper
- EINECS 309-370-0
- 100231-69-4
-
- Inchi： 1S/C10H20O2.C8H16O2.Cu/c1-7(9(2,3)4)10(5,6)8(11)12;1-3-5-6-7(4-2)8(9)10;/h7H,1-6H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);
- InChI Key： REDQJIXTOVGARX-UHFFFAOYSA-N
- SMILES： [Cu].OC(C(C)(C)C(C)C(C)(C)C)=O.OC(C(CC)CCCC)=O
Computed Properties
- Exact Mass: 379.19108
- Monoisotopic Mass: 379.191
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 8
- Complexity: 345
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Boiling Point: 252.8°C at 760 mmHg
- Flash Point: 111.4°C
- PSA: 74.6
Copper,(tert-decanoato-O)(2-ethylhexanoato-O)- (9CI) Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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