ethanol;isocyanic acid;silane

C5H13N3O4Si — CID 173153044

IUPACethanol;isocyanic acid;silane
SMILESCCO.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C2H6O.3CHNO.H4Si/c1-2-3;3*2-1-3;/h3H,2H2,1H3;3*2H;1H4
InChIKeyDGSZLZVNPYIVGI-UHFFFAOYSA-N
MW207.26 g/mol
LogP-1.75
Rot. Bonds

About ethanol;isocyanic acid;silane

ethanol;isocyanic acid;silane (PubChem CID 173153044) has the molecular formula C5H13N3O4Si and a molecular weight of 207.26 g/mol. Its IUPAC name is ethanol;isocyanic acid;silane.

Molecular Properties

Compound Nameethanol;isocyanic acid;silane
PubChem CID173153044
Molecular FormulaC5H13N3O4Si
Molecular Weight207.26 g/mol
Exact Mass207.07
IUPAC Nameethanol;isocyanic acid;silane
SMILESCCO.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C2H6O.3CHNO.H4Si/c1-2-3;3*2-1-3;/h3H,2H2,1H3;3*2H;1H4
InChIKeyDGSZLZVNPYIVGI-UHFFFAOYSA-N
XLogP-1.75
TPSA142.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

isocyanic acid;propan-1-ol
CID 87862786
isocyanic acid;propan-1-ol
CID 172714127
isocyanic acid;methanol;silane
CID 173152915
azane;carbon dioxide;ethanol
CID 87375143
isocyanic acid;methane;propane
CID 174983987
butane;ethane;isocyanic acid
CID 175178457
cyclohexane;isocyanic acid;propane
CID 173088956
benzene;isocyanic acid;propane
CID 174890034
CID 157378384
CID 157378384
bis(guanidine);isocyanic acid
CID 172753985
isocyanic acid;octane-1,8-diol
CID 172819685
hexadecane;isocyanic acid
CID 159966047

Frequently Asked Questions

What is the IUPAC name of ethanol;isocyanic acid;silane?
The IUPAC name of ethanol;isocyanic acid;silane (CID 173153044) is ethanol;isocyanic acid;silane.
What is the SMILES notation for ethanol;isocyanic acid;silane?
The canonical SMILES for ethanol;isocyanic acid;silane is CCO.N=C=O.N=C=O.N=C=O.[SiH4].
What is the InChIKey of ethanol;isocyanic acid;silane?
The InChIKey is DGSZLZVNPYIVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O.3CHNO.H4Si/c1-2-3;3*2-1-3;/h3H,2H2,1H3;3*2H;1H4.
What are the key properties of ethanol;isocyanic acid;silane?
ethanol;isocyanic acid;silane has a molecular weight of 207.26 g/mol, XLogP of -1.75, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;isocyanic acid;silane is sourced from PubChem (CID 173153044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).