Cas no 54623-37-9 (4-Octanone, 5-hydroxy-3,3,6,6-tetramethyl-)
54623-37-9 structure
Product Name:4-Octanone, 5-hydroxy-3,3,6,6-tetramethyl-
CAS No:54623-37-9
MF:C12H24O2
MW:200.317764282227
CID:354077
PubChem ID:44721105
Update Time:2025-04-19
4-Octanone, 5-hydroxy-3,3,6,6-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Octanone, 5-hydroxy-3,3,6,6-tetramethyl-
- 5-hydroxy-3,3,6,6-tetramethyloctan-4-one
- DTXSID20660428
- 54623-37-9
-
- Inchi： 1S/C12H24O2/c1-7-11(3,4)9(13)10(14)12(5,6)8-2/h9,13H,7-8H2,1-6H3
- InChI Key： FLJKXUVXDVPJFK-UHFFFAOYSA-N
- SMILES： OC(C(C(C)(C)CC)=O)C(C)(C)CC
Computed Properties
- Exact Mass: 200.17772
- Monoisotopic Mass: 200.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 204
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 3.2
Experimental Properties
- PSA: 37.3
4-Octanone, 5-hydroxy-3,3,6,6-tetramethyl- Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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