triethyl(2-isocyanatoethyl)silane

C9H19NOSi — CID 87128357

IUPACtriethyl(2-isocyanatoethyl)silane
SMILESCC[Si](CC)(CC)CCN=C=O
InChIInChI=1S/C9H19NOSi/c1-4-12(5-2,6-3)8-7-10-9-11/h4-8H2,1-3H3
InChIKeyGQRCUGYQEFREPX-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.83
Rot. Bonds6

About triethyl(2-isocyanatoethyl)silane

triethyl(2-isocyanatoethyl)silane (PubChem CID 87128357) has the molecular formula C9H19NOSi and a molecular weight of 185.34 g/mol. Its IUPAC name is triethyl(2-isocyanatoethyl)silane.

Molecular Properties

Compound Nametriethyl(2-isocyanatoethyl)silane
PubChem CID87128357
Molecular FormulaC9H19NOSi
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nametriethyl(2-isocyanatoethyl)silane
SMILESCC[Si](CC)(CC)CCN=C=O
InChIInChI=1S/C9H19NOSi/c1-4-12(5-2,6-3)8-7-10-9-11/h4-8H2,1-3H3
InChIKeyGQRCUGYQEFREPX-UHFFFAOYSA-N
XLogP2.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

ethoxy-diethyl-(2-isocyanatoethyl)silane
CID 151283150
ethyl-(2-isocyanatoethyl)-dipropoxysilane
CID 142701820
trichloro(2-isocyanatoethyl)silane
CID 154128519
hydrazine;2-isocyanatoethyl(trimethoxy)silane
CID 91003499
2-isocyanatoethyl-dimethoxy-methylsilane
CID 18949278
2-isocyanatoethyl-dimethyl-silyloxysilane
CID 123530793
ethoxy-(2-isocyanatoethyl)-dimethoxysilane
CID 87149340
isocyanatoethane;silane
CID 174792418
[2-isocyanatoethyl(dimethoxy)silyl]formaldehyde
CID 20719014
3-[diethoxy(2-isocyanatoethyl)silyl]propan-1-amine
CID 18620385
1,2-diisocyanatoethane;hydrazine
CID 155127889
1-isocyanatodotriacontane
CID 87857577

Frequently Asked Questions

What is the IUPAC name of triethyl(2-isocyanatoethyl)silane?
The IUPAC name of triethyl(2-isocyanatoethyl)silane (CID 87128357) is triethyl(2-isocyanatoethyl)silane.
What is the SMILES notation for triethyl(2-isocyanatoethyl)silane?
The canonical SMILES for triethyl(2-isocyanatoethyl)silane is CC[Si](CC)(CC)CCN=C=O.
What is the InChIKey of triethyl(2-isocyanatoethyl)silane?
The InChIKey is GQRCUGYQEFREPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOSi/c1-4-12(5-2,6-3)8-7-10-9-11/h4-8H2,1-3H3.
What are the key properties of triethyl(2-isocyanatoethyl)silane?
triethyl(2-isocyanatoethyl)silane has a molecular weight of 185.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(2-isocyanatoethyl)silane is sourced from PubChem (CID 87128357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).