ethylsilane;isocyanic acid

C5H11N3O3Si — CID 173368660

IUPACethylsilane;isocyanic acid
SMILESCC[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/C2H8Si.3CHNO/c1-2-3;3*2-1-3/h2H2,1,3H3;3*2H
InChIKeyFTINFFJNNJNHPA-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.51
Rot. Bonds

About ethylsilane;isocyanic acid

ethylsilane;isocyanic acid (PubChem CID 173368660) has the molecular formula C5H11N3O3Si and a molecular weight of 189.25 g/mol. Its IUPAC name is ethylsilane;isocyanic acid.

Molecular Properties

Compound Nameethylsilane;isocyanic acid
PubChem CID173368660
Molecular FormulaC5H11N3O3Si
Molecular Weight189.25 g/mol
Exact Mass189.06
IUPAC Nameethylsilane;isocyanic acid
SMILESCC[SiH3].N=C=O.N=C=O.N=C=O
InChIInChI=1S/C2H8Si.3CHNO/c1-2-3;3*2-1-3/h2H2,1,3H3;3*2H
InChIKeyFTINFFJNNJNHPA-UHFFFAOYSA-N
XLogP-0.51
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

Dimethoxy(propyl)silane;isocyanic acid
CID 172708235
Ethyl(methoxy)silane;isocyanic acid
CID 172719825
Ethenylsilane;isocyanic acid
CID 172759413
Isocyanic acid;methylsilane
CID 172789745
Butyl(methoxy)silane;isocyanic acid
CID 172804100
Isocyanic acid;propylsilane
CID 172805937
Isocyanic acid;methoxy(propyl)silane
CID 172824250
Ethyl(dimethoxy)silane;isocyanic acid
CID 172843980
Ethane;isocyanic acid;silane
CID 173153033
Butylsilane;isocyanic acid
CID 173344341
Isocyanic acid;propylsilane
CID 173368567
Isocyanic acid;propan-2-ylsilane
CID 173368662

Frequently Asked Questions

What is the IUPAC name of ethylsilane;isocyanic acid?
The IUPAC name of ethylsilane;isocyanic acid (CID 173368660) is ethylsilane;isocyanic acid.
What is the SMILES notation for ethylsilane;isocyanic acid?
The canonical SMILES for ethylsilane;isocyanic acid is CC[SiH3].N=C=O.N=C=O.N=C=O.
What is the InChIKey of ethylsilane;isocyanic acid?
The InChIKey is FTINFFJNNJNHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8Si.3CHNO/c1-2-3;3*2-1-3/h2H2,1,3H3;3*2H.
What are the key properties of ethylsilane;isocyanic acid?
ethylsilane;isocyanic acid has a molecular weight of 189.25 g/mol, XLogP of -0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsilane;isocyanic acid is sourced from PubChem (CID 173368660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).