triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane

C17H30O4Si — CID 90121057

IUPACtriethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
SMILESCCO[Si](CCc1cc(C)cc(OC)c1C)(OCC)OCC
InChIInChI=1S/C17H30O4Si/c1-7-19-22(20-8-2,21-9-3)11-10-16-12-14(4)13-17(18-6)15(16)5/h12-13H,7-11H2,1-6H3
InChIKeyDFWICIPFRCSPAV-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.90
Rot. Bonds10

About triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane

triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane (PubChem CID 90121057) has the molecular formula C17H30O4Si and a molecular weight of 326.51 g/mol. Its IUPAC name is triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
PubChem CID90121057
Molecular FormulaC17H30O4Si
Molecular Weight326.51 g/mol
Exact Mass326.19
IUPAC Nametriethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane
SMILESCCO[Si](CCc1cc(C)cc(OC)c1C)(OCC)OCC
InChIInChI=1S/C17H30O4Si/c1-7-19-22(20-8-2,21-9-3)11-10-16-12-14(4)13-17(18-6)15(16)5/h12-13H,7-11H2,1-6H3
InChIKeyDFWICIPFRCSPAV-UHFFFAOYSA-N
XLogP3.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane?
The IUPAC name of triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane (CID 90121057) is triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane.
What is the SMILES notation for triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane?
The canonical SMILES for triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane is CCO[Si](CCc1cc(C)cc(OC)c1C)(OCC)OCC.
What is the InChIKey of triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane?
The InChIKey is DFWICIPFRCSPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si/c1-7-19-22(20-8-2,21-9-3)11-10-16-12-14(4)13-17(18-6)15(16)5/h12-13H,7-11H2,1-6H3.
What are the key properties of triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane?
triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane has a molecular weight of 326.51 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-(3-methoxy-2,5-dimethylphenyl)ethyl]silane is sourced from PubChem (CID 90121057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).