2-isocyanatoethoxy(dimethyl)silane

C5H11NO2Si — CID 123737598

IUPAC2-isocyanatoethoxy(dimethyl)silane
SMILESC[SiH](C)OCCN=C=O
InChIInChI=1S/C5H11NO2Si/c1-9(2)8-4-3-6-5-7/h9H,3-4H2,1-2H3
InChIKeyLGFGJAQBMCSDKG-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.32
Rot. Bonds4

About 2-isocyanatoethoxy(dimethyl)silane

2-isocyanatoethoxy(dimethyl)silane (PubChem CID 123737598) has the molecular formula C5H11NO2Si and a molecular weight of 145.23 g/mol. Its IUPAC name is 2-isocyanatoethoxy(dimethyl)silane.

Molecular Properties

Compound Name2-isocyanatoethoxy(dimethyl)silane
PubChem CID123737598
Molecular FormulaC5H11NO2Si
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name2-isocyanatoethoxy(dimethyl)silane
SMILESC[SiH](C)OCCN=C=O
InChIInChI=1S/C5H11NO2Si/c1-9(2)8-4-3-6-5-7/h9H,3-4H2,1-2H3
InChIKeyLGFGJAQBMCSDKG-UHFFFAOYSA-N
XLogP0.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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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Related Compounds

2-isocyanatoethoxy(dimethoxy)silane
CID 173008486
1-isocyanato-2-sulfanyloxyethane
CID 150792166
2-isocyanatoethyl acetate
CID 13135080
1-difluorophosphoryloxy-2-isocyanatoethane
CID 170418364
1,2-diisocyanatoethane;hydrazine
CID 155127889
isocyanato-tris(2-isocyanatoethoxy)silane
CID 154104954
isocyanatomethyl(dimethyl)silane
CID 123789634
2-isocyanatoethyl 3-methyl-2-propan-2-ylbutanoate
CID 134301739
2-isocyanatoethyl 2-methylidenebutanoate
CID 87903090
(1-ethoxy-3-isocyanatopropyl)-dimethylsilane
CID 154163836
1-isocyanato-6-(6-isocyanatohexoxy)hexane
CID 139782672
1,10-diisocyanatodecane;1,12-diisocyanatododecane
CID 126503786

Frequently Asked Questions

What is the IUPAC name of 2-isocyanatoethoxy(dimethyl)silane?
The IUPAC name of 2-isocyanatoethoxy(dimethyl)silane (CID 123737598) is 2-isocyanatoethoxy(dimethyl)silane.
What is the SMILES notation for 2-isocyanatoethoxy(dimethyl)silane?
The canonical SMILES for 2-isocyanatoethoxy(dimethyl)silane is C[SiH](C)OCCN=C=O.
What is the InChIKey of 2-isocyanatoethoxy(dimethyl)silane?
The InChIKey is LGFGJAQBMCSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2Si/c1-9(2)8-4-3-6-5-7/h9H,3-4H2,1-2H3.
What are the key properties of 2-isocyanatoethoxy(dimethyl)silane?
2-isocyanatoethoxy(dimethyl)silane has a molecular weight of 145.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanatoethoxy(dimethyl)silane is sourced from PubChem (CID 123737598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).