Cas no 179249-43-5 (Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI))
179249-43-5 structure
Product Name:Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)
CAS No:179249-43-5
MF:C9H16O2
MW:156.222143173218
CID:113130
PubChem ID:10558861
Update Time:2025-04-18
Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI)
- 3-hydroperoxy-1-propan-2-ylcyclohexene
- DTXSID40441655
- 179249-43-5
-
- Inchi： 1S/C9H16O2/c1-7(2)8-4-3-5-9(6-8)11-10/h6-7,9-10H,3-5H2,1-2H3
- InChI Key： QQTXERCLWKUTKH-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(C)C)CCC1)O
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 150
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 1.7
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
Hydroperoxide, 3-(1-methylethyl)-2-cyclohexen-1-yl (9CI) Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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