[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde

C6H11NO4Si — CID 20719014

IUPAC[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde
SMILESCO[Si](C=O)(CCN=C=O)OC
InChIInChI=1S/C6H11NO4Si/c1-10-12(6-9,11-2)4-3-7-5-8/h6H,3-4H2,1-2H3
InChIKeyNSMWRQRZMXUIRV-UHFFFAOYSA-N
MW189.24 g/mol
LogP-0.17
Rot. Bonds6

About [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde

[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde (PubChem CID 20719014) has the molecular formula C6H11NO4Si and a molecular weight of 189.24 g/mol. Its IUPAC name is [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde.

Molecular Properties

Compound Name[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde
PubChem CID20719014
Molecular FormulaC6H11NO4Si
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde
SMILESCO[Si](C=O)(CCN=C=O)OC
InChIInChI=1S/C6H11NO4Si/c1-10-12(6-9,11-2)4-3-7-5-8/h6H,3-4H2,1-2H3
InChIKeyNSMWRQRZMXUIRV-UHFFFAOYSA-N
XLogP-0.17
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde?
The IUPAC name of [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde (CID 20719014) is [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde.
What is the SMILES notation for [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde?
The canonical SMILES for [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde is CO[Si](C=O)(CCN=C=O)OC.
What is the InChIKey of [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde?
The InChIKey is NSMWRQRZMXUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4Si/c1-10-12(6-9,11-2)4-3-7-5-8/h6H,3-4H2,1-2H3.
What are the key properties of [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde?
[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde has a molecular weight of 189.24 g/mol, XLogP of -0.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-isocyanatoethyl(dimethoxy)silyl]formaldehyde is sourced from PubChem (CID 20719014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).