ethane;isocyanic acid;silane

C5H13N3O3Si — CID 173153033

IUPACethane;isocyanic acid;silane
SMILESCC.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C2H6.3CHNO.H4Si/c1-2;3*2-1-3;/h1-2H3;3*2H;1H4
InChIKeyYSCIUGNQZJMWAI-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.72
Rot. Bonds

About ethane;isocyanic acid;silane

ethane;isocyanic acid;silane (PubChem CID 173153033) has the molecular formula C5H13N3O3Si and a molecular weight of 191.26 g/mol. Its IUPAC name is ethane;isocyanic acid;silane.

Molecular Properties

Compound Nameethane;isocyanic acid;silane
PubChem CID173153033
Molecular FormulaC5H13N3O3Si
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Nameethane;isocyanic acid;silane
SMILESCC.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C2H6.3CHNO.H4Si/c1-2;3*2-1-3;/h1-2H3;3*2H;1H4
InChIKeyYSCIUGNQZJMWAI-UHFFFAOYSA-N
XLogP-0.72
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.72
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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Frequently Asked Questions

What is the IUPAC name of ethane;isocyanic acid;silane?
The IUPAC name of ethane;isocyanic acid;silane (CID 173153033) is ethane;isocyanic acid;silane.
What is the SMILES notation for ethane;isocyanic acid;silane?
The canonical SMILES for ethane;isocyanic acid;silane is CC.N=C=O.N=C=O.N=C=O.[SiH4].
What is the InChIKey of ethane;isocyanic acid;silane?
The InChIKey is YSCIUGNQZJMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.3CHNO.H4Si/c1-2;3*2-1-3;/h1-2H3;3*2H;1H4.
What are the key properties of ethane;isocyanic acid;silane?
ethane;isocyanic acid;silane has a molecular weight of 191.26 g/mol, XLogP of -0.72, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;isocyanic acid;silane is sourced from PubChem (CID 173153033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).