Cas no 116410-59-4 (dihexyl 2,5-dioxocyclohexane-1,4-dicarboxylate)
116410-59-4 structure
Product Name:dihexyl 2,5-dioxocyclohexane-1,4-dicarboxylate
CAS No:116410-59-4
MF:C20H32O6
MW:368.464487075806
CID:2614627
PubChem ID:71339114
Update Time:2025-04-21
dihexyl 2,5-dioxocyclohexane-1,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
-
- dihexyl 2,5-dioxocyclohexane-1,4-dicarboxylate
- DTXSID50766604
- 116410-59-4
-
- Inchi： 1S/C20H32O6/c1-3-5-7-9-11-25-19(23)15-13-18(22)16(14-17(15)21)20(24)26-12-10-8-6-4-2/h15-16H,3-14H2,1-2H3
- InChI Key： YCBIDDHQTUVPBA-UHFFFAOYSA-N
- SMILES： O(CCCCCC)C(C1C(CC(C(=O)OCCCCCC)C(C1)=O)=O)=O
Computed Properties
- Exact Mass: 368.21988874Da
- Monoisotopic Mass: 368.21988874Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 14
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 86.7?2
dihexyl 2,5-dioxocyclohexane-1,4-dicarboxylate Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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