butyl(methoxy)silane;isocyanic acid

C6H15NO2Si — CID 172804100

IUPACbutyl(methoxy)silane;isocyanic acid
SMILESCCCC[SiH2]OC.N=C=O
InChIInChI=1S/C5H14OSi.CHNO/c1-3-4-5-7-6-2;2-1-3/h3-5,7H2,1-2H3;2H
InChIKeyRGNMEPUSZLLYRK-UHFFFAOYSA-N
MW161.28 g/mol
LogP0.84
Rot. Bonds4

About butyl(methoxy)silane;isocyanic acid

butyl(methoxy)silane;isocyanic acid (PubChem CID 172804100) has the molecular formula C6H15NO2Si and a molecular weight of 161.28 g/mol. Its IUPAC name is butyl(methoxy)silane;isocyanic acid.

Molecular Properties

Compound Namebutyl(methoxy)silane;isocyanic acid
PubChem CID172804100
Molecular FormulaC6H15NO2Si
Molecular Weight161.28 g/mol
Exact Mass161.09
IUPAC Namebutyl(methoxy)silane;isocyanic acid
SMILESCCCC[SiH2]OC.N=C=O
InChIInChI=1S/C5H14OSi.CHNO/c1-3-4-5-7-6-2;2-1-3/h3-5,7H2,1-2H3;2H
InChIKeyRGNMEPUSZLLYRK-UHFFFAOYSA-N
XLogP0.84
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 butyl(methoxy)silane;isocyanic acid?
The IUPAC name of butyl(methoxy)silane;isocyanic acid (CID 172804100) is butyl(methoxy)silane;isocyanic acid.
What is the SMILES notation for butyl(methoxy)silane;isocyanic acid?
The canonical SMILES for butyl(methoxy)silane;isocyanic acid is CCCC[SiH2]OC.N=C=O.
What is the InChIKey of butyl(methoxy)silane;isocyanic acid?
The InChIKey is RGNMEPUSZLLYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14OSi.CHNO/c1-3-4-5-7-6-2;2-1-3/h3-5,7H2,1-2H3;2H.
What are the key properties of butyl(methoxy)silane;isocyanic acid?
butyl(methoxy)silane;isocyanic acid has a molecular weight of 161.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(methoxy)silane;isocyanic acid is sourced from PubChem (CID 172804100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).