Cas no 640728-53-6 (5,7-Dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-, (1R,2S)-)
![5,7-Dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-, (1R,2S)- structure](https://ossimg.kuujia.com/scimg/641000/640728-53-6x500.png)
640728-53-6 structure
Product Name:5,7-Dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-, (1R,2S)-
CAS No:640728-53-6
MF:C11H16O4
MW:212.242343902588
CID:500343
PubChem ID:45095057
Update Time:2025-04-19
5,7-Dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-, (1R,2S)- Chemical and Physical Properties
Names and Identifiers
-
- 5,7-Dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-, (1R,2S)-
- 5,7-Dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-,(1R,2S)-(9CI)
- 5,7-dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-,(1r,2s)-
- 640728-53-6
-
- Inchi： 1S/C11H16O4/c1-5-7-6(2)11(7)8(12)14-10(3,4)15-9(11)13/h6-7H,5H2,1-4H3/t6-,7+/m0/s1
- InChI Key： GFELICXFWNUSHP-NKWVEPMBSA-N
- SMILES： O1C(C)(C)OC(C2(C1=O)[C@@H](C)[C@H]2CC)=O
Computed Properties
- Exact Mass: 212.10500
- Monoisotopic Mass: 212.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 312
- 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
- Topological Polar Surface Area: 52.6A^2
- XLogP3: 2.4
Experimental Properties
- PSA: 52.60000
- LogP: 1.48480
5,7-Dioxaspiro[2.5]octane-4,8-dione,1-ethyl-2,6,6-trimethyl-, (1R,2S)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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