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2,5-Dimethyl-2-undecene

CAT: 0572-TRC-D688200-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D688200-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
49622-16-4
Hazard Statement
No Data Available
Smiles
CCCCCCC(C)CC=C(C)C
Molecular Formula
C13 H26
Molecular Weight
182.345
InChI
InChI=1S/C13H26/c1-5-6-7-8-9-13(4)11-10-12(2)3/h10,13H,5-9,11H2,1-4H3
Additionnal Information
IUPAC name: 2,5-dimethylundec-2-ene
Shipping Conditions
Room Temperature

Chemical Information

2,5-Dimethyl-2-undecene
CAS Number49622-16-4
PubChem CID521257
IUPAC Name2,5-dimethylundec-2-ene
Molecular FormulaC13H26
Molecular Weight182.35
XLogP6.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity129
SMILES
CCCCCCC(C)CC=C(C)C
InChI
InChI=1S/C13H26/c1-5-6-7-8-9-13(4)11-10-12(2)3/h10,13H,5-9,11H2,1-4H3
InChIKey
VIOGPKWXSDMDFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethyl-2-undecene
CAS: 49622-16-4
CID: 521257
Formula: C13H26
MW: 182.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.35
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count7
Exact Mass182.203450829
Monoisotopic Mass182.203450829
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity129
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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