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2,4-Dimethyl-1-heptene

CAT: 0572-TRC-D460298-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460298-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19549-87-2
Hazard Statement
Highly flammable liquid and vapour; UN number: UN3295; Packing Group: II
Purity
>95% (GC)
Smiles
CCCC(C)CC(=C)C
Molecular Formula
C9H18
Molecular Weight
126.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2,4-Dimethyl-1-heptene

2,4-dimethyl-1-heptene is an alkene that is 2-methylhept-1-ene carrying a methyl group at position 4. It has a role as an animal metabolite and a human metabolite. It is a volatile organic compound and an alkene. It derives from a hydride of a heptane.

CAS Number19549-87-2
PubChem CID123385
IUPAC Name2,4-dimethylhept-1-ene
Molecular FormulaC9H18
Molecular Weight126.24
XLogP4.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity82
SMILES
CCCC(C)CC(=C)C
InChI
InChI=1S/C9H18/c1-5-6-9(4)7-8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKey
CZGAOHSMVSIJJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Dimethyl-1-heptene
CAS: 19549-87-2
CID: 123385
Formula: C9H18
MW: 126.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.24
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass126.140850574
Monoisotopic Mass126.140850574
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity82
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-4867682,4-Dimethyl-1-heptene
sc-4870502,6-Dimethyl-1-heptene
D407102,6-Dimethyl-1-heptene 97%
sc-4897032,3-Dimethyl-3-heptene
sc-4855372,6-Dimethyl-3-heptene
FC201421-Chloro-6,6-dimethyl-2-heptene-4-yne
sc-485536Trans-2,2-Dimethyl-3-heptene
FD11788-016,6-Dimethyl-1-heptene-4-yn-3-ol
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OR916886-013-Hydroxy-6,6-dimethyl-1-heptene-4-yne

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