ethene;isocyanic acid;silane

C6H14N2O2Si — CID 173152994

IUPACethene;isocyanic acid;silane
SMILESC=C.C=C.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/2C2H4.2CHNO.H4Si/c2*1-2;2*2-1-3;/h2*1-2H2;2*2H;1H4
InChIKeyQJDBCFKACZXXAX-UHFFFAOYSA-N
MW174.28 g/mol
LogP-0.05
Rot. Bonds

About ethene;isocyanic acid;silane

ethene;isocyanic acid;silane (PubChem CID 173152994) has the molecular formula C6H14N2O2Si and a molecular weight of 174.28 g/mol. Its IUPAC name is ethene;isocyanic acid;silane.

Molecular Properties

Compound Nameethene;isocyanic acid;silane
PubChem CID173152994
Molecular FormulaC6H14N2O2Si
Molecular Weight174.28 g/mol
Exact Mass174.08
IUPAC Nameethene;isocyanic acid;silane
SMILESC=C.C=C.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/2C2H4.2CHNO.H4Si/c2*1-2;2*2-1-3;/h2*1-2H2;2*2H;1H4
InChIKeyQJDBCFKACZXXAX-UHFFFAOYSA-N
XLogP-0.05
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;isocyanic acid;silane?
The IUPAC name of ethene;isocyanic acid;silane (CID 173152994) is ethene;isocyanic acid;silane.
What is the SMILES notation for ethene;isocyanic acid;silane?
The canonical SMILES for ethene;isocyanic acid;silane is C=C.C=C.N=C=O.N=C=O.[SiH4].
What is the InChIKey of ethene;isocyanic acid;silane?
The InChIKey is QJDBCFKACZXXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4.2CHNO.H4Si/c2*1-2;2*2-1-3;/h2*1-2H2;2*2H;1H4.
What are the key properties of ethene;isocyanic acid;silane?
ethene;isocyanic acid;silane has a molecular weight of 174.28 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;isocyanic acid;silane is sourced from PubChem (CID 173152994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).