Cas no 85896-56-6 (methylcyclohexylidene hydroperoxide)
85896-56-6 structure
Product Name:methylcyclohexylidene hydroperoxide
CAS No:85896-56-6
MF:C7H14O4
MW:162.183662891388
CID:991184
PubChem ID:12100058
Update Time:2025-04-20
methylcyclohexylidene hydroperoxide Chemical and Physical Properties
Names and Identifiers
-
- methylcyclohexylidene hydroperoxide
- SCHEMBL18622389
- 2-METHYLCYCLOHEXANE-1,1-DIPEROXOL
- 1,1-Dihydroperoxy-2-methylcyclohexane
- EINECS 288-834-3
- 85896-56-6
- DTXSID101006472
- AHQOHECHYDRUNO-UHFFFAOYSA-N
-
- Inchi: 1S/C7H14O4/c1-6-4-2-3-5-7(6,10-8)11-9/h6,8-9H,2-5H2,1H3
- InChI Key: AHQOHECHYDRUNO-UHFFFAOYSA-N
- SMILES: O(C1(CCCCC1C)OO)O
Computed Properties
- Exact Mass: 162.08920892g/mol
- Monoisotopic Mass: 162.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 122
- 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: 1.1
- Topological Polar Surface Area: 58.9?2
methylcyclohexylidene hydroperoxide Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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