Cas no 52428-73-6 (1,5-Octadiene, 6-methyl-)
1,5-Octadiene, 6-methyl- structure
Product Name:1,5-Octadiene, 6-methyl-
CAS No:52428-73-6
MF:C9H16
MW:124.223342895508
CID:359638
PubChem ID:54397520
Update Time:2025-04-19
1,5-Octadiene, 6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Octadiene, 6-methyl-
- 6-methylocta-1,5-diene
- DTXSID90711077
- 6-methyl-1,5-octadien
- 52428-73-6
-
- Inchi： 1S/C9H16/c1-4-6-7-8-9(3)5-2/h4,8H,1,5-7H2,2-3H3
- InChI Key： VLBCYLMKVRFERM-UHFFFAOYSA-N
- SMILES： C(C)(=CCCC=C)CC
Computed Properties
- Exact Mass: 124.12528
- Monoisotopic Mass: 124.125
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 98.6
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 0A^2
- XLogP3: 3.7
Experimental Properties
- PSA: 0
1,5-Octadiene, 6-methyl- Related Literature
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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