tert-butyl-isocyano-dimethylsilane

C7H15NSi — CID 139919524

IUPACtert-butyl-isocyano-dimethylsilane
SMILES[C-]#[N+][Si](C)(C)C(C)(C)C
InChIInChI=1S/C7H15NSi/c1-7(2,3)9(5,6)8-4/h1-3,5-6H3
InChIKeyATBOKUKQHSUGGR-UHFFFAOYSA-N
MW141.29 g/mol
LogP2.91
Rot. Bonds

About tert-butyl-isocyano-dimethylsilane

tert-butyl-isocyano-dimethylsilane (PubChem CID 139919524) has the molecular formula C7H15NSi and a molecular weight of 141.29 g/mol. Its IUPAC name is tert-butyl-isocyano-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-isocyano-dimethylsilane
PubChem CID139919524
Molecular FormulaC7H15NSi
Molecular Weight141.29 g/mol
Exact Mass141.10
IUPAC Nametert-butyl-isocyano-dimethylsilane
SMILES[C-]#[N+][Si](C)(C)C(C)(C)C
InChIInChI=1S/C7H15NSi/c1-7(2,3)9(5,6)8-4/h1-3,5-6H3
InChIKeyATBOKUKQHSUGGR-UHFFFAOYSA-N
XLogP2.91
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-isocyano-dimethylsilane?
The IUPAC name of tert-butyl-isocyano-dimethylsilane (CID 139919524) is tert-butyl-isocyano-dimethylsilane.
What is the SMILES notation for tert-butyl-isocyano-dimethylsilane?
The canonical SMILES for tert-butyl-isocyano-dimethylsilane is [C-]#[N+][Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-isocyano-dimethylsilane?
The InChIKey is ATBOKUKQHSUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NSi/c1-7(2,3)9(5,6)8-4/h1-3,5-6H3.
What are the key properties of tert-butyl-isocyano-dimethylsilane?
tert-butyl-isocyano-dimethylsilane has a molecular weight of 141.29 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-isocyano-dimethylsilane is sourced from PubChem (CID 139919524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).