2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane

C16H28O5Si — CID 90120995

IUPAC2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
SMILESCCO[Si](CCc1cccc(OC)c1OC)(OCC)OCC
InChIInChI=1S/C16H28O5Si/c1-6-19-22(20-7-2,21-8-3)13-12-14-10-9-11-15(17-4)16(14)18-5/h9-11H,6-8,12-13H2,1-5H3
InChIKeyIWCOXFSPHPLTPZ-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.29
Rot. Bonds11

About 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane

2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane (PubChem CID 90120995) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
PubChem CID90120995
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
SMILESCCO[Si](CCc1cccc(OC)c1OC)(OCC)OCC
InChIInChI=1S/C16H28O5Si/c1-6-19-22(20-7-2,21-8-3)13-12-14-10-9-11-15(17-4)16(14)18-5/h9-11H,6-8,12-13H2,1-5H3
InChIKeyIWCOXFSPHPLTPZ-UHFFFAOYSA-N
XLogP3.29
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane
CID 90121012
triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane
CID 59566709
1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
CID 86185871
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
triethoxy-[2-(2-methoxy-3,6-dimethylphenyl)ethyl]silane
CID 90121058
bis(2,3-dimethoxyphenyl)-diethoxysilane
CID 175436947
triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
CID 90121057
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
triethoxy-[(2-methoxy-6-methylphenyl)methyl]silane
CID 59566744
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane?
The IUPAC name of 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane (CID 90120995) is 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane is CCO[Si](CCc1cccc(OC)c1OC)(OCC)OCC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane?
The InChIKey is IWCOXFSPHPLTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-6-19-22(20-7-2,21-8-3)13-12-14-10-9-11-15(17-4)16(14)18-5/h9-11H,6-8,12-13H2,1-5H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane?
2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane has a molecular weight of 328.48 g/mol, XLogP of 3.29, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane is sourced from PubChem (CID 90120995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).