Cas no 69793-65-3 (2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(3-methyl-1-oxobutyl)-)
69793-65-3 structure
Product Name:2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(3-methyl-1-oxobutyl)-
CAS No:69793-65-3
MF:C11H14O4
MW:210.226463794708
CID:391358
PubChem ID:59033170
Update Time:2025-04-19
2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(3-methyl-1-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(3-methyl-1-oxobutyl)-
- 4-hydroxy-6-methyl-3-(3-methylbutanoyl)pyran-2-one
- 4-Hydroxy-6-methyl-3-(3-methylbutanoyl)-2H-pyran-2-one
- 69793-65-3
- SCHEMBL7221645
- DTXSID80730898
-
- Inchi： 1S/C11H14O4/c1-6(2)4-8(12)10-9(13)5-7(3)15-11(10)14/h5-6,13H,4H2,1-3H3
- InChI Key： DHXXJSUXCXRUSG-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(=C(C1=O)C(CC(C)C)=O)O
Computed Properties
- Exact Mass: 210.08922
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 361
- 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: 2.2
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 63.6
2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(3-methyl-1-oxobutyl)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
69793-65-3 (2H-Pyran-2-one, 4-hydroxy-6-methyl-3-(3-methyl-1-oxobutyl)-) Related Products
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