2-isocyanatoethoxy(dimethoxy)silane

C5H11NO4Si — CID 173008486

IUPAC2-isocyanatoethoxy(dimethoxy)silane
SMILESCO[SiH](OC)OCCN=C=O
InChIInChI=1S/C5H11NO4Si/c1-8-11(9-2)10-4-3-6-5-7/h11H,3-4H2,1-2H3
InChIKeyFIYUWHWRILPFTQ-UHFFFAOYSA-N
MW177.23 g/mol
LogP-0.65
Rot. Bonds6

About 2-isocyanatoethoxy(dimethoxy)silane

2-isocyanatoethoxy(dimethoxy)silane (PubChem CID 173008486) has the molecular formula C5H11NO4Si and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-isocyanatoethoxy(dimethoxy)silane.

Molecular Properties

Compound Name2-isocyanatoethoxy(dimethoxy)silane
PubChem CID173008486
Molecular FormulaC5H11NO4Si
Molecular Weight177.23 g/mol
Exact Mass177.05
IUPAC Name2-isocyanatoethoxy(dimethoxy)silane
SMILESCO[SiH](OC)OCCN=C=O
InChIInChI=1S/C5H11NO4Si/c1-8-11(9-2)10-4-3-6-5-7/h11H,3-4H2,1-2H3
InChIKeyFIYUWHWRILPFTQ-UHFFFAOYSA-N
XLogP-0.65
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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(dimethyl)silane
CID 123737598
1-isocyanato-2-sulfanyloxyethane
CID 150792166
6-isocyanatohexyl(dimethoxy)silane
CID 150956133
2-isocyanatoethyl acetate
CID 13135080
3-isocyanatopropyl-methoxy-(methoxymethyl)silane
CID 154063322
1-difluorophosphoryloxy-2-isocyanatoethane
CID 170418364
1,2-diisocyanatoethane;hydrazine
CID 155127889
2-isocyanatoethyl-dimethoxy-methylsilane
CID 18949278
isocyanato-tris(2-isocyanatoethoxy)silane
CID 154104954
hydrazine;2-isocyanatoethyl(trimethoxy)silane
CID 91003499
3-dimethoxysilyloxypropan-1-amine
CID 160897118
CID 155665877
CID 155665877

Frequently Asked Questions

What is the IUPAC name of 2-isocyanatoethoxy(dimethoxy)silane?
The IUPAC name of 2-isocyanatoethoxy(dimethoxy)silane (CID 173008486) is 2-isocyanatoethoxy(dimethoxy)silane.
What is the SMILES notation for 2-isocyanatoethoxy(dimethoxy)silane?
The canonical SMILES for 2-isocyanatoethoxy(dimethoxy)silane is CO[SiH](OC)OCCN=C=O.
What is the InChIKey of 2-isocyanatoethoxy(dimethoxy)silane?
The InChIKey is FIYUWHWRILPFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO4Si/c1-8-11(9-2)10-4-3-6-5-7/h11H,3-4H2,1-2H3.
What are the key properties of 2-isocyanatoethoxy(dimethoxy)silane?
2-isocyanatoethoxy(dimethoxy)silane has a molecular weight of 177.23 g/mol, XLogP of -0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyanatoethoxy(dimethoxy)silane is sourced from PubChem (CID 173008486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).