Cas no 56522-83-9 (2,6-Octadienal, 3-methyl-)
2,6-Octadienal, 3-methyl- structure
Product Name:2,6-Octadienal, 3-methyl-
CAS No:56522-83-9
MF:C9H14O
MW:138.206862926483
CID:348615
PubChem ID:53843516
Update Time:2025-04-19
2,6-Octadienal, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Octadienal, 3-methyl-
- 3-methylocta-2,6-dienal
- 56522-83-9
- DTXSID00707067
-
- Inchi： 1S/C9H14O/c1-3-4-5-6-9(2)7-8-10/h3-4,7-8H,5-6H2,1-2H3
- InChI Key： GKTYXDFHEKQLPJ-UHFFFAOYSA-N
- SMILES： O=CC=C(C)CCC=CC
Computed Properties
- Exact Mass: 138.10452
- Monoisotopic Mass: 138.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2,6-Octadienal, 3-methyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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