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2,6-Dimethyl-1-heptene - 97%, high purity , CAS No.3074-78-0
Basic Description
Synonyms
MFCD00048377 | 1-Heptene, 2,6-dimethyl- | D1259 | JUUMAEXLYIMEOD-UHFFFAOYSA-N | 2,6-Dimethyl-1-heptene | FT-0634642 | AKOS025295112 | 2,6-dimethylhept-1-ene | BS-22281 | DTXSID90184767 | InChI=1/C9H18/c1-8(2)6-5-7-9(3)4/h9H,1,5-7H2,2-4H | T70747
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Unsaturated hydrocarbons
Subclass
Branched unsaturated hydrocarbons
Intermediate Tree Nodes
Not available
Direct Parent
Branched unsaturated hydrocarbons
Alternative Parents
Unsaturated aliphatic hydrocarbons Alkenes
Molecular Framework
Aliphatic acyclic compounds
Substituents
Branched unsaturated hydrocarbon - Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504755070
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755070
IUPAC Name
2,6-dimethylhept-1-ene
INCHI
InChI=1S/C9H18/c1-8(2)6-5-7-9(3)4/h9H,1,5-7H2,2-4H3
InChIKey
JUUMAEXLYIMEOD-UHFFFAOYSA-N
Smiles
CC(C)CCCC(=C)C
Isomeric SMILES
CC(C)CCCC(=C)C
Molecular Weight
126.24
Reaxy-Rn
1735071
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735071&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
86°F
Flash Point(°C)
30°C(lit.)
Boil Point(°C)
142°C
Molecular Weight
126.240 g/mol
XLogP3
4.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
4
Exact Mass
126.141 Da
Monoisotopic Mass
126.141 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
80.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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I2305284