Cas no 7181-79-5 (1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-)
7181-79-5 structure
Product Name:1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-
CAS No:7181-79-5
MF:C10H14O3
MW:182.216363430023
CID:545024
PubChem ID:11769166
Update Time:2025-04-19
1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-
- 2,2,4,4-tetramethylcyclohexane-1,3,5-trione
- SCHEMBL125758
- CHEMBL3354994
- 2,2,6,6-Tetramethylcyclohexane-1,3,5-trione
- 2,2,4,4-tetramethyl-1,3,5-cyclohexanetrione
- DTXSID50472112
- tetramethylcyclohexa-1,3,5-trione
- 4,4,6,6-tetramethyl-1,3,5-cyclohexanetrione
- 7181-79-5
- DOZWCONHUMHEPS-UHFFFAOYSA-N
-
- Inchi： 1S/C10H14O3/c1-9(2)6(11)5-7(12)10(3,4)8(9)13/h5H2,1-4H3
- InChI Key： DOZWCONHUMHEPS-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(CC(C1(C)C)=O)=O
Computed Properties
- Exact Mass: 182.09432
- Monoisotopic Mass: 182.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 269
- 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: 1.7
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 51.21
1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl- Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
7181-79-5 (1,3,5-Cyclohexanetrione, 2,2,4,4-tetramethyl-) Related Products
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