1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine

C18H29NO3Si — CID 71347976

IUPAC1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
SMILESC=Cc1ccc(/C=N/CCC[Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C18H29NO3Si/c1-5-17-10-12-18(13-11-17)16-19-14-9-15-23(20-6-2,21-7-3)22-8-4/h5,10-13,16H,1,6-9,14-15H2,2-4H3/b19-16+
InChIKeyRHTMGJXYNFZCKV-KNTRCKAVSA-N
MW335.52 g/mol
LogP4.19
Rot. Bonds12

About 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine

1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine (PubChem CID 71347976) has the molecular formula C18H29NO3Si and a molecular weight of 335.52 g/mol. Its IUPAC name is 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine.

Molecular Properties

Compound Name1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
PubChem CID71347976
Molecular FormulaC18H29NO3Si
Molecular Weight335.52 g/mol
Exact Mass335.19
IUPAC Name1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
SMILESC=Cc1ccc(/C=N/CCC[Si](OCC)(OCC)OCC)cc1
InChIInChI=1S/C18H29NO3Si/c1-5-17-10-12-18(13-11-17)16-19-14-9-15-23(20-6-2,21-7-3)22-8-4/h5,10-13,16H,1,6-9,14-15H2,2-4H3/b19-16+
InChIKeyRHTMGJXYNFZCKV-KNTRCKAVSA-N
XLogP4.19
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine?
The IUPAC name of 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine (CID 71347976) is 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine.
What is the SMILES notation for 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine?
The canonical SMILES for 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine is C=Cc1ccc(/C=N/CCC[Si](OCC)(OCC)OCC)cc1.
What is the InChIKey of 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine?
The InChIKey is RHTMGJXYNFZCKV-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H29NO3Si/c1-5-17-10-12-18(13-11-17)16-19-14-9-15-23(20-6-2,21-7-3)22-8-4/h5,10-13,16H,1,6-9,14-15H2,2-4H3/b19-16+.
What are the key properties of 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine?
1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine has a molecular weight of 335.52 g/mol, XLogP of 4.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine is sourced from PubChem (CID 71347976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).