ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane

C12H15NO2Si — CID 23455483

IUPACethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane
SMILESC=C[Si](C)(C)COc1ccc(N=C=O)cc1
InChIInChI=1S/C12H15NO2Si/c1-4-16(2,3)10-15-12-7-5-11(6-8-12)13-9-14/h4-8H,1,10H2,2-3H3
InChIKeyPSNYFZQQISWFBW-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.01
Rot. Bonds5

About ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane

ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane (PubChem CID 23455483) has the molecular formula C12H15NO2Si and a molecular weight of 233.34 g/mol. Its IUPAC name is ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane.

Molecular Properties

Compound Nameethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane
PubChem CID23455483
Molecular FormulaC12H15NO2Si
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Nameethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane
SMILESC=C[Si](C)(C)COc1ccc(N=C=O)cc1
InChIInChI=1S/C12H15NO2Si/c1-4-16(2,3)10-15-12-7-5-11(6-8-12)13-9-14/h4-8H,1,10H2,2-3H3
InChIKeyPSNYFZQQISWFBW-UHFFFAOYSA-N
XLogP3.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane?
The IUPAC name of ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane (CID 23455483) is ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane.
What is the SMILES notation for ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane?
The canonical SMILES for ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane is C=C[Si](C)(C)COc1ccc(N=C=O)cc1.
What is the InChIKey of ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane?
The InChIKey is PSNYFZQQISWFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2Si/c1-4-16(2,3)10-15-12-7-5-11(6-8-12)13-9-14/h4-8H,1,10H2,2-3H3.
What are the key properties of ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane?
ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane has a molecular weight of 233.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[(4-isocyanatophenoxy)methyl]-dimethylsilane is sourced from PubChem (CID 23455483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).