tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)

C109H250 — CID 157461144

IUPACtris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)
SMILESC.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.[2H]C(C)(C)C([2H])([2H])C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])([2H])C(C)CC(C)C.[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(C)C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])C(C)C
InChIInChI=1S/3C8H18.12C7H16.CH4/c3*1-7(2)6-8(3,4)5;12*1-6(2)5-7(3)4;/h3*7H,6H2,1-5H3;12*6-7H,5H2,1-4H3;1H4/i;;;1D3,2D3,5D2,6D;1D3,5D2,6D;5D2,6D;3*5D2;1D3;;;;;;
InChIKeyBTXYEZHZDJWBER-XPAZLZEJSA-N
MW1588.36 g/mol
LogP42.13
Rot. Bonds31

About tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)

tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane) (PubChem CID 157461144) has the molecular formula C109H250 and a molecular weight of 1588.36 g/mol. Its IUPAC name is tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane).

Molecular Properties

Compound Nametris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)
PubChem CID157461144
Molecular FormulaC109H250
Molecular Weight1588.36 g/mol
Exact Mass1587.13
IUPAC Nametris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)
SMILESC.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.[2H]C(C)(C)C([2H])([2H])C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])([2H])C(C)CC(C)C.[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(C)C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])C(C)C
InChIInChI=1S/3C8H18.12C7H16.CH4/c3*1-7(2)6-8(3,4)5;12*1-6(2)5-7(3)4;/h3*7H,6H2,1-5H3;12*6-7H,5H2,1-4H3;1H4/i;;;1D3,2D3,5D2,6D;1D3,5D2,6D;5D2,6D;3*5D2;1D3;;;;;;
InChIKeyBTXYEZHZDJWBER-XPAZLZEJSA-N
XLogP42.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001588.36
LogP ≤ 542.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane) with MolForge

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Related Compounds

2,4-dimethylpentane;methane
CID 159476318
1,1,1,2,2,3,3,4,4,5,5,6,7,7,7-pentadecadeuterio-6-methylheptane
CID 524592
2,4-dimethylpentane
CID 157050020
pentacontane;2,2,4-trimethylpentane
CID 174882537
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
2,5,7,7-tetramethyloctan-4-ol
CID 156689724
4-(bromomethyl)-2,2,6-trimethylheptane
CID 165446166
2,4,4-trimethylpentanal;2,2,4-trimethylpentane
CID 172777004
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
1,1,1,2-tetradeuterio-2-methylpropane
CID 148660145
sulfane;(4S)-N,2,2,6-tetramethylheptan-4-amine
CID 161290387
N-hydroxyacetamide;2,2,4-trimethylpentane
CID 153344333

Frequently Asked Questions

What is the IUPAC name of tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)?
The IUPAC name of tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane) (CID 157461144) is tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane).
What is the SMILES notation for tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)?
The canonical SMILES for tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane) is C.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.CC(C)CC(C)C.[2H]C(C)(C)C([2H])([2H])C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])(C(C)C)C(C)C.[2H]C([2H])([2H])C(C)CC(C)C.[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])C(C)C.[2H]C([2H])([2H])C([2H])(C)C([2H])([2H])C(C)C.
What is the InChIKey of tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)?
The InChIKey is BTXYEZHZDJWBER-XPAZLZEJSA-N. The full InChI is InChI=1S/3C8H18.12C7H16.CH4/c3*1-7(2)6-8(3,4)5;12*1-6(2)5-7(3)4;/h3*7H,6H2,1-5H3;12*6-7H,5H2,1-4H3;1H4/i;;;1D3,2D3,5D2,6D;1D3,5D2,6D;5D2,6D;3*5D2;1D3;;;;;;.
What are the key properties of tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane)?
tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane) has a molecular weight of 1588.36 g/mol, XLogP of 42.13, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,3-dideuterio-2,4-dimethylpentane);pentakis(2,4-dimethylpentane);1,1,1,2,3,3-hexadeuterio-2,4-dimethylpentane;1,1,1,2,3,3-hexadeuterio-4-methyl-2-(trideuteriomethyl)pentane;methane;1,1,1-trideuterio-2,4-dimethylpentane;2,3,3-trideuterio-2,4-dimethylpentane;tris(2,2,4-trimethylpentane) is sourced from PubChem (CID 157461144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).