Cas no 5427-02-1 (2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-(1-methylethylidene)-)
5427-02-1 structure
Product Name:2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-(1-methylethylidene)-
2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-(1-methylethylidene)- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-(1-methylethylidene)-
- AG-J-88643; AR-1D5105; AC1Q691R; CTK5A0272; 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one; AC1L5DWU; NSC14456; 2,6-di-tert-butyl-4-isopropylidene-cyclohexa-2,5-dienone; 2,6-Di-tert-butyl-4-isopropyliden-cyclohexa-2,5-dienon;
- UNII-VAU3FK4GUF
- SCHEMBL18876542
- 2,6-Bis(1,1-dimethylethyl)-4-isopropylidenecyclohexa-2,5-dien-1-one
- DTXSID10279886
- 2,6-DI-TERT-BUTYL-4-(PROPAN-2-YLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE
- 2,6-Di-tert-butyl-4-isopropylene-2,5-cyclohexadien-1-one
- 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(1-methylethylidene)-
- 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one #
- YEAYMYQESISKPS-UHFFFAOYSA-N
- 2,6-Bis(tert-butyl)-4-isopropylidene-2,5-cyclohexadien-1-one
- NSC14456
- 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one
- VAU3FK4GUF
- NSC-14456
- 5427-02-1
- 2,6-Ditert-butyl-4-isopropylidene-cyclohexa-2,5-dien-1-one
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- Inchi： 1S/C17H26O/c1-11(2)12-9-13(16(3,4)5)15(18)14(10-12)17(6,7)8/h9-10H,1-8H3
- InChI Key： YEAYMYQESISKPS-UHFFFAOYSA-N
- SMILES： O=C1C(=C/C(=C(/C)\C)/C=C1C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 246.19848
- Monoisotopic Mass: 246.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 417
- 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: 5.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
- LogP: 4.85050
2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-(1-methylethylidene)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
5427-02-1 (2,5-Cyclohexadien-1-one,2,6-bis(1,1-dimethylethyl)-4-(1-methylethylidene)-) Related Products
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