Cas no 480437-87-4 (Hydroperoxide, 1-methyl-4-(1-methylethyl)-2,5-cyclohexadien-1-yl (9CI))
480437-87-4 structure
Product Name:Hydroperoxide, 1-methyl-4-(1-methylethyl)-2,5-cyclohexadien-1-yl (9CI)
CAS No:480437-87-4
MF:C10H16O2
MW:168.232843399048
CID:931700
PubChem ID:11446556
Update Time:2025-04-19
Hydroperoxide, 1-methyl-4-(1-methylethyl)-2,5-cyclohexadien-1-yl (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hydroperoxide, 1-methyl-4-(1-methylethyl)-2,5-cyclohexadien-1-yl (9CI)
- 3-hydroperoxy-3-methyl-6-propan-2-ylcyclohexa-1,4-diene
- 480437-87-4
- Hydroperoxide, 1-methyl-4-(1-methylethyl)-2,5-cyclohexadien-1-yl
- DB-287510
- DTXSID90466075
-
- Inchi： 1S/C10H16O2/c1-8(2)9-4-6-10(3,12-11)7-5-9/h4-9,11H,1-3H3
- InChI Key： HXSVQHMXURHRMD-UHFFFAOYSA-N
- SMILES： O(C1(C)C=CC(C=C1)C(C)C)O
Computed Properties
- Exact Mass: 168.115029749g/mol
- Monoisotopic Mass: 168.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 190
- 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: 2.4
- Topological Polar Surface Area: 29.5?2
Hydroperoxide, 1-methyl-4-(1-methylethyl)-2,5-cyclohexadien-1-yl (9CI) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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