Cas no 154869-43-9 (1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI))
154869-43-9 structure
Product Name:1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI)
CAS No:154869-43-9
MF:C20H30O7
MW:382.448007106781
CID:192275
PubChem ID:154676
Update Time:2025-04-19
1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI)
- (8S-(8R*,16R*))-8,16-Bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
- 154869-43-9
- 8,16-bis(2-oxopropyl)-1,9-dioxacyclohexadecane-2,5,10-trione
- 1,9-Dioxacyclohexadecane-2,5,10-trione, 8,16-bis(2-oxopropyl)-, (8S-(8R*,16R*))-
- DTXSID60935086
- CCRIS 6974
-
- Inchi: 1S/C20H30O7/c1-14(21)12-17-6-4-3-5-7-19(24)27-18(13-15(2)22)10-8-16(23)9-11-20(25)26-17/h17-18H,3-13H2,1-2H3/t17-,18-/m0/s1
- InChI Key: CZRTWOKSRMXXSJ-ROUUACIJSA-N
- SMILES: O1C(CCC(CC[C@@H](CC(C)=O)OC(CCCCC[C@H]1CC(C)=O)=O)=O)=O
Computed Properties
- Exact Mass: 382.1992
- Monoisotopic Mass: 382.199
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 553
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.068
- Boiling Point: 626.1°C at 760 mmHg
- Flash Point: 271.6°C
- Refractive Index: 1.449
- PSA: 103.81
1,9-Dioxacyclohexadecane-2,5,10-trione,8,16-bis(2-oxopropyl)-, [8S-(8R*,16R*)]- (9CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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