Cas no 20990-16-3 (1,3-Cyclohexanedione, 2,4,6-trimethyl-)
20990-16-3 structure
Product Name:1,3-Cyclohexanedione, 2,4,6-trimethyl-
CAS No:20990-16-3
MF:C9H14O2
MW:154.206263065338
CID:1397834
PubChem ID:544905
Update Time:2025-04-20
1,3-Cyclohexanedione, 2,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 2,4,6-trimethyl-
- 2,4,6-trimethylcyclohexane-1,3-dione
- 2,4,6-Trimethyl-1,3-cyclohexanedione
- AKOS023666645
- 2,4,6-TRIMETHYL-CYCLOHEXANE-1,3-DIONE
- 20990-16-3
- SCHEMBL7085873
- 2,4,6-Trimethyl-1,3-cyclohexanedione #
- FYGKCPHQIIGXCP-UHFFFAOYSA-N
- DTXSID00337828
-
- Inchi： 1S/C9H14O2/c1-5-4-6(2)9(11)7(3)8(5)10/h5-7H,4H2,1-3H3
- InChI Key： FYGKCPHQIIGXCP-UHFFFAOYSA-N
- SMILES： O=C1C(C)C(C(C)CC1C)=O
Computed Properties
- Exact Mass: 154.09942
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 176
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Cyclohexanedione, 2,4,6-trimethyl- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
20990-16-3 (1,3-Cyclohexanedione, 2,4,6-trimethyl-) Related Products
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- 4341-24-6(5-Methylcyclohexane-1,3-dione)
- 14765-30-1(2-Sec-Butylcyclohexanone)
- 700-58-3(Adamantanone)
- 1193-55-1(2-Methylcyclohexane-1,3-dione)
- 874-23-7(2-acetylcyclohexan-1-one)
- 583-60-8(2-Methylcyclohexanone)
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