Cas no 32956-90-4 (1-methylheptyl hydroperoxide)
1-methylheptyl hydroperoxide structure
Product Name:1-methylheptyl hydroperoxide
CAS No:32956-90-4
MF:C8H18O2
MW:146.227323055267
CID:1454605
PubChem ID:11789347
Update Time:2025-04-20
1-methylheptyl hydroperoxide Chemical and Physical Properties
Names and Identifiers
-
- 1-methylheptyl hydroperoxide
- hydroperoxide, 1-methylheptyl
- Octan-2-yl hydroperoxide
- LogP
- 2-hydroperoxyoctane
- 32956-90-4
- SCHEMBL11798879
- DTXSID50472738
-
- Inchi： 1S/C8H18O2/c1-3-4-5-6-7-8(2)10-9/h8-9H,3-7H2,1-2H3
- InChI Key： NAXZMRYIZGEALQ-UHFFFAOYSA-N
- SMILES： O(C(C)CCCCCC)O
Computed Properties
- Exact Mass: 146.13074
- Monoisotopic Mass: 146.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 64.3
- 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: 2.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.46
1-methylheptyl hydroperoxide Related Literature
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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