Cas no 14906-26-4 (Hydroperoxide,1,1-dimethyl-4-penten-2-ynyl (8CI,9CI))
14906-26-4 structure
Product Name:Hydroperoxide,1,1-dimethyl-4-penten-2-ynyl (8CI,9CI)
CAS No:14906-26-4
MF:C7H10O2
MW:126.153102397919
CID:210034
PubChem ID:139847
Update Time:2025-04-19
Hydroperoxide,1,1-dimethyl-4-penten-2-ynyl (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hydroperoxide,1,1-dimethyl-4-penten-2-ynyl (8CI,9CI)
- 1-hydroperoxy-4-methylpent-3-en-1-yne
- Dimethylvinylethynylhydroperoxide
- 2-Methylhex-5-en-3-yn-2-yl hydroperoxide
- hydroperoxide, 1,1-dimethyl-4-penten-2-yn-1-yl
- 5-hydroperoxy-5-methylhex-1-en-3-yne
- 14906-26-4
- 2-Methylhex-5-en-3-yne-2-peroxol
- DTXSID30933539
- SCHEMBL21066063
-
- Inchi： 1S/C7H10O2/c1-4-5-6-7(2,3)9-8/h4,8H,1H2,2-3H3
- InChI Key： YJJTXEIQRNJFQV-UHFFFAOYSA-N
- SMILES： O(C(C#CC=C)(C)C)O
Computed Properties
- Exact Mass: 126.0681
- Monoisotopic Mass: 126.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 156
- 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
- Topological Polar Surface Area: 29.5
- XLogP3: 1.2
Experimental Properties
- Density: 0.998
- Boiling Point: 206.6°Cat760mmHg
- Flash Point: 78.8°C
- Refractive Index: 1.472
- PSA: 29.46
Hydroperoxide,1,1-dimethyl-4-penten-2-ynyl (8CI,9CI) Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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