tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane

C15H45ClPPdSi- — CID 160612819

IUPACtert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane
SMILESCC(C)(C)[Si](C)(C)C.CCC.CCl.CP.[2H]C.[3H]C.[CH3-].[Pd]
InChIInChI=1S/C7H18Si.C3H8.CH3Cl.CH5P.2CH4.CH3.Pd/c1-7(2,3)8(4,5)6;1-3-2;2*1-2;;;;/h1-6H3;3H2,1-2H3;1H3;2H2,1H3;2*1H4;1H3;/q;;;;;;-1;/i;;;;1T;1D;;
InChIKeyLPJIUMRDHBAWEK-QEHPXFANSA-N
MW429.47 g/mol
LogP7.61
Rot. Bonds

About tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane

tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane (PubChem CID 160612819) has the molecular formula C15H45ClPPdSi- and a molecular weight of 429.47 g/mol. Its IUPAC name is tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane.

Molecular Properties

Compound Nametert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane
PubChem CID160612819
Molecular FormulaC15H45ClPPdSi-
Molecular Weight429.47 g/mol
Exact Mass428.19
IUPAC Nametert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane
SMILESCC(C)(C)[Si](C)(C)C.CCC.CCl.CP.[2H]C.[3H]C.[CH3-].[Pd]
InChIInChI=1S/C7H18Si.C3H8.CH3Cl.CH5P.2CH4.CH3.Pd/c1-7(2,3)8(4,5)6;1-3-2;2*1-2;;;;/h1-6H3;3H2,1-2H3;1H3;2H2,1H3;2*1H4;1H3;/q;;;;;;-1;/i;;;;1T;1D;;
InChIKeyLPJIUMRDHBAWEK-QEHPXFANSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.47
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane?
The IUPAC name of tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane (CID 160612819) is tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane.
What is the SMILES notation for tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane?
The canonical SMILES for tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane is CC(C)(C)[Si](C)(C)C.CCC.CCl.CP.[2H]C.[3H]C.[CH3-].[Pd].
What is the InChIKey of tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane?
The InChIKey is LPJIUMRDHBAWEK-QEHPXFANSA-N. The full InChI is InChI=1S/C7H18Si.C3H8.CH3Cl.CH5P.2CH4.CH3.Pd/c1-7(2,3)8(4,5)6;1-3-2;2*1-2;;;;/h1-6H3;3H2,1-2H3;1H3;2H2,1H3;2*1H4;1H3;/q;;;;;;-1;/i;;;;1T;1D;;.
What are the key properties of tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane?
tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane has a molecular weight of 429.47 g/mol, XLogP of 7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(trimethyl)silane;carbanide;chloromethane;deuteriomethane;methylphosphane;palladium;propane;tritiomethane is sourced from PubChem (CID 160612819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).