(1-isocyanato-2-methoxyethyl)-dimethoxysilane

C6H13NO4Si — CID 154167733

IUPAC(1-isocyanato-2-methoxyethyl)-dimethoxysilane
SMILESCOCC(N=C=O)[SiH](OC)OC
InChIInChI=1S/C6H13NO4Si/c1-9-4-6(7-5-8)12(10-2)11-3/h6,12H,4H2,1-3H3
InChIKeySEOJAVUPJKDXLF-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.61
Rot. Bonds6

About (1-isocyanato-2-methoxyethyl)-dimethoxysilane

(1-isocyanato-2-methoxyethyl)-dimethoxysilane (PubChem CID 154167733) has the molecular formula C6H13NO4Si and a molecular weight of 191.26 g/mol. Its IUPAC name is (1-isocyanato-2-methoxyethyl)-dimethoxysilane.

Molecular Properties

Compound Name(1-isocyanato-2-methoxyethyl)-dimethoxysilane
PubChem CID154167733
Molecular FormulaC6H13NO4Si
Molecular Weight191.26 g/mol
Exact Mass191.06
IUPAC Name(1-isocyanato-2-methoxyethyl)-dimethoxysilane
SMILESCOCC(N=C=O)[SiH](OC)OC
InChIInChI=1S/C6H13NO4Si/c1-9-4-6(7-5-8)12(10-2)11-3/h6,12H,4H2,1-3H3
InChIKeySEOJAVUPJKDXLF-UHFFFAOYSA-N
XLogP-0.61
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.61
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-isocyanato-2-methoxyethyl)-dimethoxysilane?
The IUPAC name of (1-isocyanato-2-methoxyethyl)-dimethoxysilane (CID 154167733) is (1-isocyanato-2-methoxyethyl)-dimethoxysilane.
What is the SMILES notation for (1-isocyanato-2-methoxyethyl)-dimethoxysilane?
The canonical SMILES for (1-isocyanato-2-methoxyethyl)-dimethoxysilane is COCC(N=C=O)[SiH](OC)OC.
What is the InChIKey of (1-isocyanato-2-methoxyethyl)-dimethoxysilane?
The InChIKey is SEOJAVUPJKDXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4Si/c1-9-4-6(7-5-8)12(10-2)11-3/h6,12H,4H2,1-3H3.
What are the key properties of (1-isocyanato-2-methoxyethyl)-dimethoxysilane?
(1-isocyanato-2-methoxyethyl)-dimethoxysilane has a molecular weight of 191.26 g/mol, XLogP of -0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-isocyanato-2-methoxyethyl)-dimethoxysilane is sourced from PubChem (CID 154167733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).