Cas no 50871-05-1 (3-Methyl-1,6-heptadiene)
3-Methyl-1,6-heptadiene structure
Product Name:3-Methyl-1,6-heptadiene
3-Methyl-1,6-heptadiene Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-1,6-heptadiene
- WQUHWMVTUGCYAH-UHFFFAOYSA-N
- 1,6-Heptadiene, 3-methyl-
- 50871-05-1
- 3-Methyl-1,6-heptadiene #
- DB-262404
-
- Inchi： 1S/C8H14/c1-4-6-7-8(3)5-2/h4-5,8H,1-2,6-7H2,3H3
- InChI Key： WQUHWMVTUGCYAH-UHFFFAOYSA-N
- SMILES： C(C=C)(C)CCC=C
Computed Properties
- Exact Mass: 110.109550447Da
- Monoisotopic Mass: 110.109550447Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 72.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 0?2
3-Methyl-1,6-heptadiene Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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