diethoxymethyl(isocyanatomethyl)silane;silane

C7H19NO3Si2 — CID 174823634

IUPACdiethoxymethyl(isocyanatomethyl)silane;silane
SMILESCCOC(OCC)[SiH2]CN=C=O.[SiH4]
InChIInChI=1S/C7H15NO3Si.H4Si/c1-3-10-7(11-4-2)12-6-8-5-9;/h7H,3-4,6,12H2,1-2H3;1H4
InChIKeyRSDMDSCWSNHHCV-UHFFFAOYSA-N
MW221.40 g/mol
LogP-1.65
Rot. Bonds7

About diethoxymethyl(isocyanatomethyl)silane;silane

diethoxymethyl(isocyanatomethyl)silane;silane (PubChem CID 174823634) has the molecular formula C7H19NO3Si2 and a molecular weight of 221.40 g/mol. Its IUPAC name is diethoxymethyl(isocyanatomethyl)silane;silane.

Molecular Properties

Compound Namediethoxymethyl(isocyanatomethyl)silane;silane
PubChem CID174823634
Molecular FormulaC7H19NO3Si2
Molecular Weight221.40 g/mol
Exact Mass221.09
IUPAC Namediethoxymethyl(isocyanatomethyl)silane;silane
SMILESCCOC(OCC)[SiH2]CN=C=O.[SiH4]
InChIInChI=1S/C7H15NO3Si.H4Si/c1-3-10-7(11-4-2)12-6-8-5-9;/h7H,3-4,6,12H2,1-2H3;1H4
InChIKeyRSDMDSCWSNHHCV-UHFFFAOYSA-N
XLogP-1.65
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.40
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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(2-isocyanatoethyl)silane
CID 154128552
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
isocyanatomethyl(triethoxymethyl)silane
CID 123310718
isocyanatomethyl(propan-2-yloxy)silane
CID 174176346
diethoxymethyl(ethynyl)silane
CID 152520440
diethoxymethyl-[8-(diethoxymethylsilyl)octyl]silane
CID 123758239
ethyl 3-(diethoxymethylsilyl)propanoate
CID 154146621
isocyanatoethane;silane
CID 174792418
3-(diethoxymethylsilyl)propanenitrile
CID 154197522
diethoxymethyl(2,2-dimethylpropyl)silane
CID 149151439
diethoxymethylsilylmethyl(trimethyl)silane
CID 154083380
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
CID 154163836

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl(isocyanatomethyl)silane;silane?
The IUPAC name of diethoxymethyl(isocyanatomethyl)silane;silane (CID 174823634) is diethoxymethyl(isocyanatomethyl)silane;silane.
What is the SMILES notation for diethoxymethyl(isocyanatomethyl)silane;silane?
The canonical SMILES for diethoxymethyl(isocyanatomethyl)silane;silane is CCOC(OCC)[SiH2]CN=C=O.[SiH4].
What is the InChIKey of diethoxymethyl(isocyanatomethyl)silane;silane?
The InChIKey is RSDMDSCWSNHHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3Si.H4Si/c1-3-10-7(11-4-2)12-6-8-5-9;/h7H,3-4,6,12H2,1-2H3;1H4.
What are the key properties of diethoxymethyl(isocyanatomethyl)silane;silane?
diethoxymethyl(isocyanatomethyl)silane;silane has a molecular weight of 221.40 g/mol, XLogP of -1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl(isocyanatomethyl)silane;silane is sourced from PubChem (CID 174823634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).