Cas no 50915-79-2 (Cyclohexanone, 2-hydroperoxy-)
Cyclohexanone, 2-hydroperoxy- structure
Product Name:Cyclohexanone, 2-hydroperoxy-
CAS No:50915-79-2
MF:C6H10O3
MW:130.141802310944
CID:363757
PubChem ID:12910588
Update Time:2025-04-19
Cyclohexanone, 2-hydroperoxy- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-hydroperoxy-
- 2-hydroperoxycyclohexan-1-one
- 2-hydroperoxy-1-cyclohexanone
- 2-Hydroperoxy-cyclohexanon
- 2-hydroperoxy-cyclohexanone
- 2-ketocyclohexyl hydroperoxide
- Cyclohexanone,2-hydroperoxy
- SCHEMBL375073
- 50915-79-2
- cyclohexanone hydroperoxide
- DTXSID70512741
-
- Inchi： 1S/C6H10O3/c7-5-3-1-2-4-6(5)9-8/h6,8H,1-4H2
- InChI Key： CMPLVXYOKPNUAI-UHFFFAOYSA-N
- SMILES： O(C1C(CCCC1)=O)O
Computed Properties
- Exact Mass: 130.06300
- Monoisotopic Mass: 130.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 111
- 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: 0.8
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53000
- LogP: 0.98770
Cyclohexanone, 2-hydroperoxy- Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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