triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane

C17H30O6Si — CID 90121012

IUPACtriethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane
SMILESCCO[Si](CCc1c(OC)ccc(OC)c1OC)(OCC)OCC
InChIInChI=1S/C17H30O6Si/c1-7-21-24(22-8-2,23-9-3)13-12-14-15(18-4)10-11-16(19-5)17(14)20-6/h10-11H,7-9,12-13H2,1-6H3
InChIKeyNFZODRZPYZRLHH-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.30
Rot. Bonds12

About triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane

triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane (PubChem CID 90121012) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane
PubChem CID90121012
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Nametriethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane
SMILESCCO[Si](CCc1c(OC)ccc(OC)c1OC)(OCC)OCC
InChIInChI=1S/C17H30O6Si/c1-7-21-24(22-8-2,23-9-3)13-12-14-15(18-4)10-11-16(19-5)17(14)20-6/h10-11H,7-9,12-13H2,1-6H3
InChIKeyNFZODRZPYZRLHH-UHFFFAOYSA-N
XLogP3.30
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethoxyphenyl)ethyl-triethoxysilane
CID 90120995
triethoxy-[2-(2-methoxy-3,6-dimethylphenyl)ethyl]silane
CID 90121058
triethoxy-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]silane
CID 59566709
1-[3-methoxy-2-(2-triethoxysilylethyl)phenyl]ethanone
CID 86185871
triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
CID 90121057
triethoxy-[(6-methoxy-2,3-dimethylphenyl)methyl]silane
CID 59566888
triethoxy-[(2-methoxy-6-methylphenyl)methyl]silane
CID 59566744
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
bis(2,3-dimethoxyphenyl)-diethoxysilane
CID 175436947
2-hexyl-1,3-dimethoxy-4-methylbenzene
CID 524849
[2,3-dimethoxy-5-(3-triethoxysilylpropyl)phenyl] acetate
CID 18541844

Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane?
The IUPAC name of triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane (CID 90121012) is triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane is CCO[Si](CCc1c(OC)ccc(OC)c1OC)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane?
The InChIKey is NFZODRZPYZRLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O6Si/c1-7-21-24(22-8-2,23-9-3)13-12-14-15(18-4)10-11-16(19-5)17(14)20-6/h10-11H,7-9,12-13H2,1-6H3.
What are the key properties of triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane?
triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane has a molecular weight of 358.51 g/mol, XLogP of 3.30, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(2,3,6-trimethoxyphenyl)ethyl]silane is sourced from PubChem (CID 90121012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).