ethoxy-(2-isocyanatoethyl)-dimethoxysilane

C7H15NO4Si — CID 87149340

IUPACethoxy-(2-isocyanatoethyl)-dimethoxysilane
SMILESCCO[Si](CCN=C=O)(OC)OC
InChIInChI=1S/C7H15NO4Si/c1-4-12-13(10-2,11-3)6-5-8-7-9/h4-6H2,1-3H3
InChIKeyVOYKDLZNACQSOQ-UHFFFAOYSA-N
MW205.29 g/mol
LogP0.59
Rot. Bonds7

About ethoxy-(2-isocyanatoethyl)-dimethoxysilane

ethoxy-(2-isocyanatoethyl)-dimethoxysilane (PubChem CID 87149340) has the molecular formula C7H15NO4Si and a molecular weight of 205.29 g/mol. Its IUPAC name is ethoxy-(2-isocyanatoethyl)-dimethoxysilane.

Molecular Properties

Compound Nameethoxy-(2-isocyanatoethyl)-dimethoxysilane
PubChem CID87149340
Molecular FormulaC7H15NO4Si
Molecular Weight205.29 g/mol
Exact Mass205.08
IUPAC Nameethoxy-(2-isocyanatoethyl)-dimethoxysilane
SMILESCCO[Si](CCN=C=O)(OC)OC
InChIInChI=1S/C7H15NO4Si/c1-4-12-13(10-2,11-3)6-5-8-7-9/h4-6H2,1-3H3
InChIKeyVOYKDLZNACQSOQ-UHFFFAOYSA-N
XLogP0.59
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 50.59
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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Related Compounds

hydrazine;2-isocyanatoethyl(trimethoxy)silane
CID 91003499
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150
acetonitrile;triethoxy(3-isocyanatopropyl)silane
CID 158725312
17-isocyanatoheptadecyl(trimethoxy)silane
CID 87683791
16-isocyanatohexadecyl(trimethoxy)silane
CID 87683661
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
CID 87101175
2-isocyanatoethyl-dimethoxy-methylsilane
CID 18949278
3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
CID 18620385
triethoxy(3-isocyanatopropyl)silane;N-(3-trimethoxysilylpropyl)aniline
CID 159457965

Frequently Asked Questions

What is the IUPAC name of ethoxy-(2-isocyanatoethyl)-dimethoxysilane?
The IUPAC name of ethoxy-(2-isocyanatoethyl)-dimethoxysilane (CID 87149340) is ethoxy-(2-isocyanatoethyl)-dimethoxysilane.
What is the SMILES notation for ethoxy-(2-isocyanatoethyl)-dimethoxysilane?
The canonical SMILES for ethoxy-(2-isocyanatoethyl)-dimethoxysilane is CCO[Si](CCN=C=O)(OC)OC.
What is the InChIKey of ethoxy-(2-isocyanatoethyl)-dimethoxysilane?
The InChIKey is VOYKDLZNACQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4Si/c1-4-12-13(10-2,11-3)6-5-8-7-9/h4-6H2,1-3H3.
What are the key properties of ethoxy-(2-isocyanatoethyl)-dimethoxysilane?
ethoxy-(2-isocyanatoethyl)-dimethoxysilane has a molecular weight of 205.29 g/mol, XLogP of 0.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(2-isocyanatoethyl)-dimethoxysilane is sourced from PubChem (CID 87149340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).