Cas no 16895-46-8 (1,3,5-Heptatriene,6-methyl-)
1,3,5-Heptatriene,6-methyl- structure
Product Name:1,3,5-Heptatriene,6-methyl-
1,3,5-Heptatriene,6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Heptatriene,6-methyl-
- (3E)-6-methylhepta-1,3,5-triene
- 1,3,5-Heptatriene, 6,6-dimethyl-, (E,E)-
- 18304-14-8
- DTXSID801305110
- (3E)-6-Methyl-1,3,5-heptatriene
- 16895-46-8
- 1,3,5-Heptatriene, 6,6-dimethyl-, (E)-
-
- Inchi： 1S/C8H12/c1-4-5-6-7-8(2)3/h4-7H,1H2,2-3H3/b6-5+
- InChI Key： ACENFYRHGWWZOA-AATRIKPKSA-N
- SMILES： C(=C/C=C/C=C)(/C)\C
Computed Properties
- Exact Mass: 108.09396
- Monoisotopic Mass: 108.0939
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 112
- 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: 0
- XLogP3: 3.3
Experimental Properties
- Density: 0.758
- Boiling Point: 137.7°C at 760 mmHg
- Flash Point: 20.9°C
- Refractive Index: 1.456
- PSA: 0
1,3,5-Heptatriene,6-methyl- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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