Cas no 94247-35-5 ((2-ethylhexanoato-O)(neodecanoato-O)calcium)
94247-35-5 structure
Product Name:(2-ethylhexanoato-O)(neodecanoato-O)calcium
CAS No:94247-35-5
MF:C18H34CaO4
MW:354.538165569305
CID:1983462
PubChem ID:71300532
Update Time:2025-04-21
(2-ethylhexanoato-O)(neodecanoato-O)calcium Chemical and Physical Properties
Names and Identifiers
-
- (2-ethylhexanoato-O)(neodecanoato-O)calcium
- calcium,7,7-dimethyloctanoate,2-ethylhexanoate
- 94247-35-5
- EINECS 304-213-2
-
- Inchi： 1S/C10H20O2.C8H16O2.Ca/c1-10(2,3)8-6-4-5-7-9(11)12;1-3-5-6-7(4-2)8(9)10;/h4-8H2,1-3H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
- InChI Key： MSIPDJMTPFJWCS-UHFFFAOYSA-L
- SMILES： [Ca+2].[O-]C(C(CC)CCCC)=O.[O-]C(CCCCCC(C)(C)C)=O
Computed Properties
- Exact Mass: 354.2083004Da
- Monoisotopic Mass: 354.2083004Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 13
- Complexity: 298
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.3?2
(2-ethylhexanoato-O)(neodecanoato-O)calcium Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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