1-isocyanatoethyl(trimethoxy)silane

C6H13NO4Si — CID 22238674

IUPAC1-isocyanatoethyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(C)N=C=O
InChIInChI=1S/C6H13NO4Si/c1-6(7-5-8)12(9-2,10-3)11-4/h6H,1-4H3
InChIKeyLVOYLVYOGRXFOE-UHFFFAOYSA-N
MW191.26 g/mol
LogP0.13
Rot. Bonds5

About 1-isocyanatoethyl(trimethoxy)silane

1-isocyanatoethyl(trimethoxy)silane (PubChem CID 22238674) has the molecular formula C6H13NO4Si and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-isocyanatoethyl(trimethoxy)silane.

Molecular Properties

Compound Name1-isocyanatoethyl(trimethoxy)silane
PubChem CID22238674
Molecular FormulaC6H13NO4Si
Molecular Weight191.26 g/mol
Exact Mass191.06
IUPAC Name1-isocyanatoethyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C(C)N=C=O
InChIInChI=1S/C6H13NO4Si/c1-6(7-5-8)12(9-2,10-3)11-4/h6H,1-4H3
InChIKeyLVOYLVYOGRXFOE-UHFFFAOYSA-N
XLogP0.13
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 50.13
H-Bond Donors ≤ 50
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 1-isocyanatoethyl(trimethoxy)silane?
The IUPAC name of 1-isocyanatoethyl(trimethoxy)silane (CID 22238674) is 1-isocyanatoethyl(trimethoxy)silane.
What is the SMILES notation for 1-isocyanatoethyl(trimethoxy)silane?
The canonical SMILES for 1-isocyanatoethyl(trimethoxy)silane is CO[Si](OC)(OC)C(C)N=C=O.
What is the InChIKey of 1-isocyanatoethyl(trimethoxy)silane?
The InChIKey is LVOYLVYOGRXFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4Si/c1-6(7-5-8)12(9-2,10-3)11-4/h6H,1-4H3.
What are the key properties of 1-isocyanatoethyl(trimethoxy)silane?
1-isocyanatoethyl(trimethoxy)silane has a molecular weight of 191.26 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isocyanatoethyl(trimethoxy)silane is sourced from PubChem (CID 22238674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).