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2,2,4-Trimethylpentane-d18

CAT: 0024-sc-256265Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-256265Size:5 g
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CAS Number
51685-57-5

Chemical Information

2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9
CAS Number51685-57-5
PubChem CID16212984
IUPAC Name1,1,1,2,3,3,5,5,5-nonadeuterio-2,4,4-tris(trideuteriomethyl)pentane
Molecular FormulaC8H18
Molecular Weight132.34
XLogP3.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity54
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI
InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3/i1D3,2D3,3D3,4D3,5D3,6D2,7D
InChIKey
NHTMVDHEPJAVLT-FKVAJJEHSA-N
Chemical Structure
2D Structure
2D structure of 2,2,4-Tri(methyl-d3)pentane-1,1,1,3,3,4,5,5,5-d9
CAS: 51685-57-5
CID: 16212984
Formula: C8H18
MW: 132.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.34
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass132.253832001
Monoisotopic Mass132.253832001
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
Isotope Atom Count18
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-T796535-250ML2,2,4-Trimethylpentane
90026716-2.5lt2,2,4-Trimethylpentane (Isooctane)
T286152,2,4-Trimethylpentane 99%
OR26275-012-Chloro-2,4,4-trimethylpentane
OR1043727-012,3,4-Trimethylpentane
415736-012-Bromo-2,4,4-trimethylpentane
01879 00500Iso-Octane (2,2,4-trimethylpentane)
GS9378-1l2,2,4-Trimethylpentane, GlenDry™, anhydrous
SV11182,2,4-Trimethylpentane, HPLC grade
SV11172,2,4-Trimethylpentane, glass distilled

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