isocyanic acid;trimethoxy(methyl)silane

C5H13NO4Si — CID 87261505

IUPACisocyanic acid;trimethoxy(methyl)silane
SMILESCO[Si](C)(OC)OC.N=C=O
InChIInChI=1S/C4H12O3Si.CHNO/c1-5-8(4,6-2)7-3;2-1-3/h1-4H3;2H
InChIKeyRETHHFNVIWBDJQ-UHFFFAOYSA-N
MW179.25 g/mol
LogP0.40
Rot. Bonds3

About isocyanic acid;trimethoxy(methyl)silane

isocyanic acid;trimethoxy(methyl)silane (PubChem CID 87261505) has the molecular formula C5H13NO4Si and a molecular weight of 179.25 g/mol. Its IUPAC name is isocyanic acid;trimethoxy(methyl)silane.

Molecular Properties

Compound Nameisocyanic acid;trimethoxy(methyl)silane
PubChem CID87261505
Molecular FormulaC5H13NO4Si
Molecular Weight179.25 g/mol
Exact Mass179.06
IUPAC Nameisocyanic acid;trimethoxy(methyl)silane
SMILESCO[Si](C)(OC)OC.N=C=O
InChIInChI=1S/C4H12O3Si.CHNO/c1-5-8(4,6-2)7-3;2-1-3/h1-4H3;2H
InChIKeyRETHHFNVIWBDJQ-UHFFFAOYSA-N
XLogP0.40
TPSA68.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 isocyanic acid;trimethoxy(methyl)silane?
The IUPAC name of isocyanic acid;trimethoxy(methyl)silane (CID 87261505) is isocyanic acid;trimethoxy(methyl)silane.
What is the SMILES notation for isocyanic acid;trimethoxy(methyl)silane?
The canonical SMILES for isocyanic acid;trimethoxy(methyl)silane is CO[Si](C)(OC)OC.N=C=O.
What is the InChIKey of isocyanic acid;trimethoxy(methyl)silane?
The InChIKey is RETHHFNVIWBDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O3Si.CHNO/c1-5-8(4,6-2)7-3;2-1-3/h1-4H3;2H.
What are the key properties of isocyanic acid;trimethoxy(methyl)silane?
isocyanic acid;trimethoxy(methyl)silane has a molecular weight of 179.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;trimethoxy(methyl)silane is sourced from PubChem (CID 87261505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).