Cas no 1173021-90-3 (1,1,3,3,3-pentadeuterio-2-(trideuteriomethoxy)prop-1-ene)
1173021-90-3 structure
Product Name:1,1,3,3,3-pentadeuterio-2-(trideuteriomethoxy)prop-1-ene
CAS No:1173021-90-3
MF:C4H8O
MW:80.1550149917603
CID:2615296
PubChem ID:71309418
Update Time:2025-04-21
1,1,3,3,3-pentadeuterio-2-(trideuteriomethoxy)prop-1-ene Chemical and Physical Properties
Names and Identifiers
-
- 1,1,3,3,3-pentadeuterio-2-(trideuteriomethoxy)prop-1-ene
- DTXSID30745871
- 2-[(~2~H_3_)Methyloxy](~2~H_5_)prop-1-ene
- 2-Methoxypropene-d8, 90 atom % D
- 1173021-90-3
-
- Inchi： 1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3/i1D2,2D3,3D3
- InChI Key： YOWQWFMSQCOSBA-MGGKGRBPSA-N
- SMILES： O(C([2H])([2H])[2H])/C(=C(\[2H])/[2H])/C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 80.107728842Da
- Monoisotopic Mass: 80.107728842Da
- Isotope Atom Count: 8
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 5
- Rotatable Bond Count: 1
- Complexity: 38.9
- 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: 1.2
- Topological Polar Surface Area: 9.2?2
1,1,3,3,3-pentadeuterio-2-(trideuteriomethoxy)prop-1-ene Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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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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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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