Cas no 4952-03-8 (Hydroperoxide, 1-methylcyclohexyl)
4952-03-8 structure
Product Name:Hydroperoxide, 1-methylcyclohexyl
CAS No:4952-03-8
MF:C7H14O2
MW:130.184862613678
CID:4004426
PubChem ID:138393
Update Time:2025-04-22
Hydroperoxide, 1-methylcyclohexyl Chemical and Physical Properties
Names and Identifiers
-
- Hydroperoxide, 1-methylcyclohexyl
- 1-Hydroperoxy-1-methylcyclohexane
- 4952-03-8
- DTXCID50120308
- 1-Methylcyclohexyl hydroperoxide
- DTXSID90197817
- SCHEMBL362788
-
- Inchi： 1S/C7H14O2/c1-7(9-8)5-3-2-4-6-7/h8H,2-6H2,1H3
- InChI Key： UUUYXCLERBDLEO-UHFFFAOYSA-N
- SMILES： O(C1(C)CCCCC1)O
Computed Properties
- Exact Mass: 130.099
- Monoisotopic Mass: 130.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 84.9
- 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: 1.6
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1
- Boiling Point: 201.3°Cat760mmHg
- Flash Point: 75.5°C
Hydroperoxide, 1-methylcyclohexyl Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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