diethoxymethyl(2-isocyanatoethyl)silane

C8H17NO3Si — CID 154128552

IUPACdiethoxymethyl(2-isocyanatoethyl)silane
SMILESCCOC(OCC)[SiH2]CCN=C=O
InChIInChI=1S/C8H17NO3Si/c1-3-11-8(12-4-2)13-6-5-9-7-10/h8H,3-6,13H2,1-2H3
InChIKeyLNOPDOUTRUHXFQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.27
Rot. Bonds8

About diethoxymethyl(2-isocyanatoethyl)silane

diethoxymethyl(2-isocyanatoethyl)silane (PubChem CID 154128552) has the molecular formula C8H17NO3Si and a molecular weight of 203.31 g/mol. Its IUPAC name is diethoxymethyl(2-isocyanatoethyl)silane.

Molecular Properties

Compound Namediethoxymethyl(2-isocyanatoethyl)silane
PubChem CID154128552
Molecular FormulaC8H17NO3Si
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Namediethoxymethyl(2-isocyanatoethyl)silane
SMILESCCOC(OCC)[SiH2]CCN=C=O
InChIInChI=1S/C8H17NO3Si/c1-3-11-8(12-4-2)13-6-5-9-7-10/h8H,3-6,13H2,1-2H3
InChIKeyLNOPDOUTRUHXFQ-UHFFFAOYSA-N
XLogP0.27
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

diethoxymethyl(isocyanatomethyl)silane;silane
CID 174823634
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
CID 154163836
diethoxymethyl(heptadecyl)silane
CID 154220252
diethoxymethyl(tridecyl)silane
CID 154372881
ethyl 3-(diethoxymethylsilyl)propanoate
CID 154146621
3-(diethoxymethylsilyl)-N-[3-(diethoxymethylsilyl)propyl]-N-methylpropan-1-amine
CID 154169391
3-(diethoxymethylsilyl)propyl hydrogen carbonate
CID 173009319
1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 154063195
ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl(2-isocyanatoethyl)silane?
The IUPAC name of diethoxymethyl(2-isocyanatoethyl)silane (CID 154128552) is diethoxymethyl(2-isocyanatoethyl)silane.
What is the SMILES notation for diethoxymethyl(2-isocyanatoethyl)silane?
The canonical SMILES for diethoxymethyl(2-isocyanatoethyl)silane is CCOC(OCC)[SiH2]CCN=C=O.
What is the InChIKey of diethoxymethyl(2-isocyanatoethyl)silane?
The InChIKey is LNOPDOUTRUHXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3Si/c1-3-11-8(12-4-2)13-6-5-9-7-10/h8H,3-6,13H2,1-2H3.
What are the key properties of diethoxymethyl(2-isocyanatoethyl)silane?
diethoxymethyl(2-isocyanatoethyl)silane has a molecular weight of 203.31 g/mol, XLogP of 0.27, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(2-isocyanatoethyl)silane is sourced from PubChem (CID 154128552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).