Cas no 64672-57-7 (1,3-Cyclohexanedione, 4,6-bis(1,1-dimethylethyl)-, trans-)
64672-57-7 structure
Product Name:1,3-Cyclohexanedione, 4,6-bis(1,1-dimethylethyl)-, trans-
CAS No:64672-57-7
MF:C14H24O2
MW:224.339164733887
CID:419188
PubChem ID:15128278
Update Time:2025-04-19
1,3-Cyclohexanedione, 4,6-bis(1,1-dimethylethyl)-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 4,6-bis(1,1-dimethylethyl)-, trans-
- DTXSID20568657
- (4R,6R)-4,6-Di-tert-butylcyclohexane-1,3-dione
- 64672-57-7
-
- Inchi： 1S/C14H24O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)8-11(9)15/h9-10H,7-8H2,1-6H3/t9-,10-/m0/s1
- InChI Key： PBOAZMIKLGFMSU-UWVGGRQHSA-N
- SMILES： O=C1CC([C@@H](C(C)(C)C)C[C@@H]1C(C)(C)C)=O
Computed Properties
- Exact Mass: 224.17772
- Monoisotopic Mass: 224.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Cyclohexanedione, 4,6-bis(1,1-dimethylethyl)-, trans- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
64672-57-7 (1,3-Cyclohexanedione, 4,6-bis(1,1-dimethylethyl)-, trans-) Related Products
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