Cas no 4096-33-7 (Hydroperoxide,3-cyclohexen-1-yl)
4096-33-7 structure
Product Name:Hydroperoxide,3-cyclohexen-1-yl
Hydroperoxide,3-cyclohexen-1-yl Chemical and Physical Properties
Names and Identifiers
-
- Hydroperoxide,3-cyclohexen-1-yl
- 1-HYDROXYPEROXY-1-CYCLOHEXENE-3
- 3-cyclohexenylhydroperoxide
- Hydroperoxide, 3-cyclohexen-1-yl (9CI)
- CYCLOHEX-3-ENE-1-PEROXOL
- 3F4V7479IQ
- BRN 4956289
- UNII-3F4V7479IQ
- SCHEMBL6442399
- 1-Hydroperoxycyclo-3-hexene
- 1-Hydroperoxycyclohex-3-ene
- 3-Cyclohexen-1-yl hydroperoxide
- 3-Cyclohexenyl hydroperoxide
- 4096-33-7
- Hydroperoxide, 3-cyclohexen-1-yl
- Q27257141
- J34.016B
- DTXSID30961337
- 3-Cyclohexene, 1-hydroperoxy-
-
- Inchi： 1S/C6H10O2/c7-8-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
- InChI Key： WORNONSVRBSMMN-UHFFFAOYSA-N
- SMILES： O(C1CC=CCC1)O
Computed Properties
- Exact Mass: 114.0681
- Monoisotopic Mass: 114.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 88.5
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.0353 (rough estimate)
- Boiling Point: 173.66°C (rough estimate)
- Refractive Index: 1.4495 (estimate)
- PSA: 29.46
Hydroperoxide,3-cyclohexen-1-yl Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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