Cas no 6668-03-7 (Propaneperoxoic acid, 2-methyl-, 2-methylpropyl ester)
6668-03-7 structure
Product Name:Propaneperoxoic acid, 2-methyl-, 2-methylpropyl ester
CAS No:6668-03-7
MF:C8H16O3
MW:160.210843086243
CID:4123670
PubChem ID:71369153
Update Time:2025-04-24
Propaneperoxoic acid, 2-methyl-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propaneperoxoic acid, 2-methyl-, 2-methylpropyl ester
- 6668-03-7
- SCHEMBL2719408
- 2-Methylpropyl 2-methylpropaneperoxoate
- DTXSID70792187
-
- Inchi： 1S/C8H16O3/c1-6(2)5-10-11-8(9)7(3)4/h6-7H,5H2,1-4H3
- InChI Key： PISFSIZXFDLEHR-UHFFFAOYSA-N
- SMILES： O(CC(C)C)OC(C(C)C)=O
Computed Properties
- Exact Mass: 160.109944368g/mol
- Monoisotopic Mass: 160.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 119
- 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: 2.5
- Topological Polar Surface Area: 35.5?2
Propaneperoxoic acid, 2-methyl-, 2-methylpropyl ester Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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