dimethoxy(methyl)silane;isocyanic acid

C4H11NO3Si — CID 172839512

IUPACdimethoxy(methyl)silane;isocyanic acid
SMILESCO[SiH](C)OC.N=C=O
InChIInChI=1S/C3H10O2Si.CHNO/c1-4-6(3)5-2;2-1-3/h6H,1-3H3;2H
InChIKeyWPJFUURRDQCNNL-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.03
Rot. Bonds2

About dimethoxy(methyl)silane;isocyanic acid

dimethoxy(methyl)silane;isocyanic acid (PubChem CID 172839512) has the molecular formula C4H11NO3Si and a molecular weight of 149.22 g/mol. Its IUPAC name is dimethoxy(methyl)silane;isocyanic acid.

Molecular Properties

Compound Namedimethoxy(methyl)silane;isocyanic acid
PubChem CID172839512
Molecular FormulaC4H11NO3Si
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Namedimethoxy(methyl)silane;isocyanic acid
SMILESCO[SiH](C)OC.N=C=O
InChIInChI=1S/C3H10O2Si.CHNO/c1-4-6(3)5-2;2-1-3/h6H,1-3H3;2H
InChIKeyWPJFUURRDQCNNL-UHFFFAOYSA-N
XLogP0.03
TPSA59.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of dimethoxy(methyl)silane;isocyanic acid?
The IUPAC name of dimethoxy(methyl)silane;isocyanic acid (CID 172839512) is dimethoxy(methyl)silane;isocyanic acid.
What is the SMILES notation for dimethoxy(methyl)silane;isocyanic acid?
The canonical SMILES for dimethoxy(methyl)silane;isocyanic acid is CO[SiH](C)OC.N=C=O.
What is the InChIKey of dimethoxy(methyl)silane;isocyanic acid?
The InChIKey is WPJFUURRDQCNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O2Si.CHNO/c1-4-6(3)5-2;2-1-3/h6H,1-3H3;2H.
What are the key properties of dimethoxy(methyl)silane;isocyanic acid?
dimethoxy(methyl)silane;isocyanic acid has a molecular weight of 149.22 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(methyl)silane;isocyanic acid is sourced from PubChem (CID 172839512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).