triethoxy(isocyano)silane

C7H15NO3Si — CID 91523189

IUPACtriethoxy(isocyano)silane
SMILES[C-]#[N+][Si](OCC)(OCC)OCC
InChIInChI=1S/C7H15NO3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h5-7H2,1-3H3
InChIKeyDVZRAFSDCXSFHF-UHFFFAOYSA-N
MW189.29 g/mol
LogP1.45
Rot. Bonds6

About triethoxy(isocyano)silane

triethoxy(isocyano)silane (PubChem CID 91523189) has the molecular formula C7H15NO3Si and a molecular weight of 189.29 g/mol. Its IUPAC name is triethoxy(isocyano)silane.

Molecular Properties

Compound Nametriethoxy(isocyano)silane
PubChem CID91523189
Molecular FormulaC7H15NO3Si
Molecular Weight189.29 g/mol
Exact Mass189.08
IUPAC Nametriethoxy(isocyano)silane
SMILES[C-]#[N+][Si](OCC)(OCC)OCC
InChIInChI=1S/C7H15NO3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h5-7H2,1-3H3
InChIKeyDVZRAFSDCXSFHF-UHFFFAOYSA-N
XLogP1.45
TPSA32.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 triethoxy(isocyano)silane?
The IUPAC name of triethoxy(isocyano)silane (CID 91523189) is triethoxy(isocyano)silane.
What is the SMILES notation for triethoxy(isocyano)silane?
The canonical SMILES for triethoxy(isocyano)silane is [C-]#[N+][Si](OCC)(OCC)OCC.
What is the InChIKey of triethoxy(isocyano)silane?
The InChIKey is DVZRAFSDCXSFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3Si/c1-5-9-12(8-4,10-6-2)11-7-3/h5-7H2,1-3H3.
What are the key properties of triethoxy(isocyano)silane?
triethoxy(isocyano)silane has a molecular weight of 189.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(isocyano)silane is sourced from PubChem (CID 91523189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).