butane;isocyanic acid;silane

C7H17N3O3Si — CID 173153026

IUPACbutane;isocyanic acid;silane
SMILESCCCC.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C4H10.3CHNO.H4Si/c1-3-4-2;3*2-1-3;/h3-4H2,1-2H3;3*2H;1H4
InChIKeyXMAFINVXLTTWDT-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.06
Rot. Bonds1

About butane;isocyanic acid;silane

butane;isocyanic acid;silane (PubChem CID 173153026) has the molecular formula C7H17N3O3Si and a molecular weight of 219.32 g/mol. Its IUPAC name is butane;isocyanic acid;silane.

Molecular Properties

Compound Namebutane;isocyanic acid;silane
PubChem CID173153026
Molecular FormulaC7H17N3O3Si
Molecular Weight219.32 g/mol
Exact Mass219.10
IUPAC Namebutane;isocyanic acid;silane
SMILESCCCC.N=C=O.N=C=O.N=C=O.[SiH4]
InChIInChI=1S/C4H10.3CHNO.H4Si/c1-3-4-2;3*2-1-3;/h3-4H2,1-2H3;3*2H;1H4
InChIKeyXMAFINVXLTTWDT-UHFFFAOYSA-N
XLogP0.06
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.06
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 butane;isocyanic acid;silane?
The IUPAC name of butane;isocyanic acid;silane (CID 173153026) is butane;isocyanic acid;silane.
What is the SMILES notation for butane;isocyanic acid;silane?
The canonical SMILES for butane;isocyanic acid;silane is CCCC.N=C=O.N=C=O.N=C=O.[SiH4].
What is the InChIKey of butane;isocyanic acid;silane?
The InChIKey is XMAFINVXLTTWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.3CHNO.H4Si/c1-3-4-2;3*2-1-3;/h3-4H2,1-2H3;3*2H;1H4.
What are the key properties of butane;isocyanic acid;silane?
butane;isocyanic acid;silane has a molecular weight of 219.32 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butane;isocyanic acid;silane is sourced from PubChem (CID 173153026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).