triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane

C16H28O4Si — CID 59566722

IUPACtriethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane
SMILESCCO[Si](Cc1cc(OC)c(C)cc1C)(OCC)OCC
InChIInChI=1S/C16H28O4Si/c1-7-18-21(19-8-2,20-9-3)12-15-11-16(17-6)14(5)10-13(15)4/h10-11H,7-9,12H2,1-6H3
InChIKeyTUGHFKZLJFGGPY-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.44
Rot. Bonds9

About triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane

triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane (PubChem CID 59566722) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane.

Molecular Properties

Compound Nametriethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane
PubChem CID59566722
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Nametriethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane
SMILESCCO[Si](Cc1cc(OC)c(C)cc1C)(OCC)OCC
InChIInChI=1S/C16H28O4Si/c1-7-18-21(19-8-2,20-9-3)12-15-11-16(17-6)14(5)10-13(15)4/h10-11H,7-9,12H2,1-6H3
InChIKeyTUGHFKZLJFGGPY-UHFFFAOYSA-N
XLogP3.44
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.44
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-[(5-methoxy-2,4-dimethylphenyl)methyl]silane?
The IUPAC name of triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane (CID 59566722) is triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane.
What is the SMILES notation for triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane?
The canonical SMILES for triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane is CCO[Si](Cc1cc(OC)c(C)cc1C)(OCC)OCC.
What is the InChIKey of triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane?
The InChIKey is TUGHFKZLJFGGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-7-18-21(19-8-2,20-9-3)12-15-11-16(17-6)14(5)10-13(15)4/h10-11H,7-9,12H2,1-6H3.
What are the key properties of triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane?
triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane has a molecular weight of 312.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[(5-methoxy-2,4-dimethylphenyl)methyl]silane is sourced from PubChem (CID 59566722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).