[4-(triethoxysilylmethyl)phenyl] formate

C14H22O5Si — CID 170938191

IUPAC[4-(triethoxysilylmethyl)phenyl] formate
SMILESCCO[Si](Cc1ccc(OC=O)cc1)(OCC)OCC
InChIInChI=1S/C14H22O5Si/c1-4-17-20(18-5-2,19-6-3)11-13-7-9-14(10-8-13)16-12-15/h7-10,12H,4-6,11H2,1-3H3
InChIKeyJAJTVWYTGWXFOD-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.35
Rot. Bonds10

About [4-(triethoxysilylmethyl)phenyl] formate

[4-(triethoxysilylmethyl)phenyl] formate (PubChem CID 170938191) has the molecular formula C14H22O5Si and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-(triethoxysilylmethyl)phenyl] formate.

Molecular Properties

Compound Name[4-(triethoxysilylmethyl)phenyl] formate
PubChem CID170938191
Molecular FormulaC14H22O5Si
Molecular Weight298.41 g/mol
Exact Mass298.12
IUPAC Name[4-(triethoxysilylmethyl)phenyl] formate
SMILESCCO[Si](Cc1ccc(OC=O)cc1)(OCC)OCC
InChIInChI=1S/C14H22O5Si/c1-4-17-20(18-5-2,19-6-3)11-13-7-9-14(10-8-13)16-12-15/h7-10,12H,4-6,11H2,1-3H3
InChIKeyJAJTVWYTGWXFOD-UHFFFAOYSA-N
XLogP2.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(triethoxysilylmethyl)phenyl] formate?
The IUPAC name of [4-(triethoxysilylmethyl)phenyl] formate (CID 170938191) is [4-(triethoxysilylmethyl)phenyl] formate.
What is the SMILES notation for [4-(triethoxysilylmethyl)phenyl] formate?
The canonical SMILES for [4-(triethoxysilylmethyl)phenyl] formate is CCO[Si](Cc1ccc(OC=O)cc1)(OCC)OCC.
What is the InChIKey of [4-(triethoxysilylmethyl)phenyl] formate?
The InChIKey is JAJTVWYTGWXFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5Si/c1-4-17-20(18-5-2,19-6-3)11-13-7-9-14(10-8-13)16-12-15/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of [4-(triethoxysilylmethyl)phenyl] formate?
[4-(triethoxysilylmethyl)phenyl] formate has a molecular weight of 298.41 g/mol, XLogP of 2.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(triethoxysilylmethyl)phenyl] formate is sourced from PubChem (CID 170938191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).