Cas no 153280-17-2 (2,5-Cyclohexadien-1-one,2-(1,1-dimethylethyl)-4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]-)
![2,5-Cyclohexadien-1-one,2-(1,1-dimethylethyl)-4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]- structure](https://ossimg.kuujia.com/scimg/153500/153280-17-2x500.png)
153280-17-2 structure
Product Name:2,5-Cyclohexadien-1-one,2-(1,1-dimethylethyl)-4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]-
CAS No:153280-17-2
MF:C18H21NO
MW:267.365444898605
CID:105851
PubChem ID:22832080
Update Time:2025-04-18
2,5-Cyclohexadien-1-one,2-(1,1-dimethylethyl)-4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]- Chemical and Physical Properties
Names and Identifiers
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- 2,5-Cyclohexadien-1-one,2-(1,1-dimethylethyl)-4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]-
- (4E)-2-tert-butyl-4-[2-(1-methylpyridin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
- O-TERT-BUTYLSTILBAZOLIUM BETAINE
- DTXSID40628585
- o-t-butylstilbazolium betaine
- 153280-17-2
- (4E)-2-tert-Butyl-4-[2-(1-methylpyridin-4(1H)-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
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- Inchi： 1S/C18H21NO/c1-18(2,3)16-13-15(7-8-17(16)20)6-5-14-9-11-19(4)12-10-14/h5-13H,1-4H3/b15-6+
- InChI Key： PNRLDHBQABKNSE-GIDUJCDVSA-N
- SMILES： O=C1C=C/C(=C\C=C2\C=CN(C)C=C\2)/C=C1C(C)(C)C
Computed Properties
- Exact Mass: 267.16200
- Monoisotopic Mass: 267.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 573
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.3A^2
- XLogP3: 3.8
Experimental Properties
- Density: 1.158
- Boiling Point: 397.1°Cat760mmHg
- Flash Point: 143.4°C
- Refractive Index: 1.669
- PSA: 22.00000
- LogP: 3.12450
2,5-Cyclohexadien-1-one,2-(1,1-dimethylethyl)-4-[2-(1-methyl-4(1H)-pyridinylidene)ethylidene]- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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