2,2-dimethoxyethoxy(isocyanatomethyl)silane

C6H13NO4Si — CID 154365360

IUPAC2,2-dimethoxyethoxy(isocyanatomethyl)silane
SMILESCOC(CO[SiH2]CN=C=O)OC
InChIInChI=1S/C6H13NO4Si/c1-9-6(10-2)3-11-12-5-7-4-8/h6H,3,5,12H2,1-2H3
InChIKeyDQKJNMYIIVPNPU-UHFFFAOYSA-N
MW191.26 g/mol
LogP-1.00
Rot. Bonds7

About 2,2-dimethoxyethoxy(isocyanatomethyl)silane

2,2-dimethoxyethoxy(isocyanatomethyl)silane (PubChem CID 154365360) has the molecular formula C6H13NO4Si and a molecular weight of 191.26 g/mol. Its IUPAC name is 2,2-dimethoxyethoxy(isocyanatomethyl)silane.

Molecular Properties

Compound Name2,2-dimethoxyethoxy(isocyanatomethyl)silane
PubChem CID154365360
Molecular FormulaC6H13NO4Si
Molecular Weight191.26 g/mol
Exact Mass191.06
IUPAC Name2,2-dimethoxyethoxy(isocyanatomethyl)silane
SMILESCOC(CO[SiH2]CN=C=O)OC
InChIInChI=1S/C6H13NO4Si/c1-9-6(10-2)3-11-12-5-7-4-8/h6H,3,5,12H2,1-2H3
InChIKeyDQKJNMYIIVPNPU-UHFFFAOYSA-N
XLogP-1.00
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2,2-dimethoxyethoxy(isocyanatomethyl)silane?
The IUPAC name of 2,2-dimethoxyethoxy(isocyanatomethyl)silane (CID 154365360) is 2,2-dimethoxyethoxy(isocyanatomethyl)silane.
What is the SMILES notation for 2,2-dimethoxyethoxy(isocyanatomethyl)silane?
The canonical SMILES for 2,2-dimethoxyethoxy(isocyanatomethyl)silane is COC(CO[SiH2]CN=C=O)OC.
What is the InChIKey of 2,2-dimethoxyethoxy(isocyanatomethyl)silane?
The InChIKey is DQKJNMYIIVPNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4Si/c1-9-6(10-2)3-11-12-5-7-4-8/h6H,3,5,12H2,1-2H3.
What are the key properties of 2,2-dimethoxyethoxy(isocyanatomethyl)silane?
2,2-dimethoxyethoxy(isocyanatomethyl)silane has a molecular weight of 191.26 g/mol, XLogP of -1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethoxy(isocyanatomethyl)silane is sourced from PubChem (CID 154365360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).