Cas no 81710-06-7 (5-Tert-butyl-2,2-dimethyl-1,3-dioxane-4,6-dione)
81710-06-7 structure
Product Name:5-Tert-butyl-2,2-dimethyl-1,3-dioxane-4,6-dione
CAS No:81710-06-7
MF:C10H16O4
MW:200.231643676758
CID:2803168
PubChem ID:12858637
Update Time:2025-04-21
5-Tert-butyl-2,2-dimethyl-1,3-dioxane-4,6-dione Chemical and Physical Properties
Names and Identifiers
-
- DTXSID80511649
- 5-tert-butyl-2,2-dimethyl-[1,3]dioxane-4,6-dione
- 81710-06-7
- SCHEMBL12040077
- 5-Tert-butyl-2,2-dimethyl-1,3-dioxane-4,6-dione
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- Inchi: 1S/C10H16O4/c1-9(2,3)6-7(11)13-10(4,5)14-8(6)12/h6H,1-5H3
- InChI Key: DJKKCATWPZSCPZ-UHFFFAOYSA-N
- SMILES: O1C(C(C(=O)OC1(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 200.10485899Da
- Monoisotopic Mass: 200.10485899Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 252
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 52.6?2
5-Tert-butyl-2,2-dimethyl-1,3-dioxane-4,6-dione Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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