1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone

C17H28O5Si — CID 86185871

IUPAC1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
SMILESCCO[Si](CCc1c(OC)cccc1C(C)=O)(OCC)OCC
InChIInChI=1S/C17H28O5Si/c1-6-20-23(21-7-2,22-8-3)13-12-16-15(14(4)18)10-9-11-17(16)19-5/h9-11H,6-8,12-13H2,1-5H3
InChIKeyZAYWQMGFDPVBNC-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.49
Rot. Bonds11

About 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone

1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone (PubChem CID 86185871) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
PubChem CID86185871
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Name1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
SMILESCCO[Si](CCc1c(OC)cccc1C(C)=O)(OCC)OCC
InChIInChI=1S/C17H28O5Si/c1-6-20-23(21-7-2,22-8-3)13-12-16-15(14(4)18)10-9-11-17(16)19-5/h9-11H,6-8,12-13H2,1-5H3
InChIKeyZAYWQMGFDPVBNC-UHFFFAOYSA-N
XLogP3.49
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone (CID 86185871) is 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone is CCO[Si](CCc1c(OC)cccc1C(C)=O)(OCC)OCC.
What is the InChIKey of 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone?
The InChIKey is ZAYWQMGFDPVBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-6-20-23(21-7-2,22-8-3)13-12-16-15(14(4)18)10-9-11-17(16)19-5/h9-11H,6-8,12-13H2,1-5H3.
What are the key properties of 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone?
1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone has a molecular weight of 340.49 g/mol, XLogP of 3.49, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone is sourced from PubChem (CID 86185871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).