Cas no 188530-39-4 (3,5-Octanedione, 6-ethyl-2,2-dimethyl-)
188530-39-4 structure
Product Name:3,5-Octanedione, 6-ethyl-2,2-dimethyl-
CAS No:188530-39-4
MF:C12H22O2
MW:198.301884174347
CID:1383450
PubChem ID:59783163
Update Time:2025-04-20
3,5-Octanedione, 6-ethyl-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Octanedione, 6-ethyl-2,2-dimethyl-
- 6-ethyl-2,2-dimethyloctane-3,5-dione
- DTXSID80732958
- 188530-39-4
- SCHEMBL409671
-
- Inchi： 1S/C12H22O2/c1-6-9(7-2)10(13)8-11(14)12(3,4)5/h9H,6-8H2,1-5H3
- InChI Key： GPOXCFJNNXDRSC-UHFFFAOYSA-N
- SMILES： O=C(CC(C(C)(C)C)=O)C(CC)CC
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 207
- 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: 3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
3,5-Octanedione, 6-ethyl-2,2-dimethyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
188530-39-4 (3,5-Octanedione, 6-ethyl-2,2-dimethyl-) Related Products
- 1540-34-7(3-Ethyl-2,4-pentanedione)
- 18362-64-6(2,6-Dimethyl-3,5-heptanedione)
- 1118-71-4(Dipivaloylmethane)
- 20669-04-9(3,3-Dimethylpentan-2-one)
- 113486-29-6(3-Methylnonane-2,4-dione (>80%))
- 933-52-8(tetramethylcyclobutane-1,3-dione)
- 1540-36-9(3-n-Butyl-2,4-pentanedione)
- 7307-04-2(5,5-Dimethylhexane-2,4-dione)
- 5405-79-8(2,2-Dimethyl-3-hexanone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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