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trans-2,2-Dimethyl-3-heptene - >99.0%(GC), high purity , CAS No.19550-75-5
Basic Description
Synonyms
AKOS024429343 | 3-Heptene, 2,2-dimethyl-, (E)- | EINECS 243-156-7 | 2,2-DIMETHYL-3-HEPTENE, trans | (Z)-3-Hexene, 2,2-dimethyl | DTXSID20880821 | 2,2-dimethyl-3-heptene | BQOCYCICSYUPRF-BQYQJAHWSA-N | MFCD00039961 | D1260 | (E)-2,2-Dimethylhept-3-ene | T7
Specifications & Purity
≥99%(GC)
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Unsaturated hydrocarbons
Subclass
Unsaturated aliphatic hydrocarbons
Intermediate Tree Nodes
Not available
Direct Parent
Unsaturated aliphatic hydrocarbons
Alternative Parents
Alkenes
Molecular Framework
Aliphatic acyclic compounds
Substituents
Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
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
504763657
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504763657
IUPAC Name
(E)-2,2-dimethylhept-3-ene
INCHI
InChI=1S/C9H18/c1-5-6-7-8-9(2,3)4/h7-8H,5-6H2,1-4H3/b8-7+
InChIKey
BQOCYCICSYUPRF-BQYQJAHWSA-N
Smiles
CCCC=CC(C)(C)C
Isomeric SMILES
CCC/C=C/C(C)(C)C
PubChem CID
5352650
Molecular Weight
126.24
Reaxy-Rn
3080170
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
19°C(lit.)
Flash Point(°C)
19°C(lit.)
Molecular Weight
126.240 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
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
82.700
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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G2301192