tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane

C9H22Si — CID 173314466

IUPACtris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane
SMILES[2H]C([2H])([2H])C([2H])([SiH](C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C9H22Si/c1-7(2)10(8(3)4)9(5)6/h7-10H,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3,7D,8D,9D
InChIKeyYDJXDYKQMRNUSA-HLTYWXIHSA-N
MW179.49 g/mol
LogP3.44
Rot. Bonds9

About tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane

tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane (PubChem CID 173314466) has the molecular formula C9H22Si and a molecular weight of 179.49 g/mol. Its IUPAC name is tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane.

Molecular Properties

Compound Nametris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane
PubChem CID173314466
Molecular FormulaC9H22Si
Molecular Weight179.49 g/mol
Exact Mass179.28
IUPAC Nametris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane
SMILES[2H]C([2H])([2H])C([2H])([SiH](C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C9H22Si/c1-7(2)10(8(3)4)9(5)6/h7-10H,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3,7D,8D,9D
InChIKeyYDJXDYKQMRNUSA-HLTYWXIHSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane?
The IUPAC name of tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane (CID 173314466) is tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane.
What is the SMILES notation for tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane?
The canonical SMILES for tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane is [2H]C([2H])([2H])C([2H])([SiH](C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane?
The InChIKey is YDJXDYKQMRNUSA-HLTYWXIHSA-N. The full InChI is InChI=1S/C9H22Si/c1-7(2)10(8(3)4)9(5)6/h7-10H,1-6H3/i1D3,2D3,3D3,4D3,5D3,6D3,7D,8D,9D.
What are the key properties of tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane?
tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane has a molecular weight of 179.49 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)silane is sourced from PubChem (CID 173314466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).