[2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane

C21H29FO4Si — CID 167440330

IUPAC[2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cc(F)ccc1COc1cc(C)cc(C)c1
InChIInChI=1S/C21H29FO4Si/c1-6-24-27(25-7-2,26-8-3)21-14-19(22)10-9-18(21)15-23-20-12-16(4)11-17(5)13-20/h9-14H,6-8,15H2,1-5H3
InChIKeyIDBWZFIKPHDKIS-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.28
Rot. Bonds10

About [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane

[2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane (PubChem CID 167440330) has the molecular formula C21H29FO4Si and a molecular weight of 392.54 g/mol. Its IUPAC name is [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane.

Molecular Properties

Compound Name[2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane
PubChem CID167440330
Molecular FormulaC21H29FO4Si
Molecular Weight392.54 g/mol
Exact Mass392.18
IUPAC Name[2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane
SMILESCCO[Si](OCC)(OCC)c1cc(F)ccc1COc1cc(C)cc(C)c1
InChIInChI=1S/C21H29FO4Si/c1-6-24-27(25-7-2,26-8-3)21-14-19(22)10-9-18(21)15-23-20-12-16(4)11-17(5)13-20/h9-14H,6-8,15H2,1-5H3
InChIKeyIDBWZFIKPHDKIS-UHFFFAOYSA-N
XLogP4.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.28
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 [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane?
The IUPAC name of [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane (CID 167440330) is [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane.
What is the SMILES notation for [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane?
The canonical SMILES for [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane is CCO[Si](OCC)(OCC)c1cc(F)ccc1COc1cc(C)cc(C)c1.
What is the InChIKey of [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane?
The InChIKey is IDBWZFIKPHDKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FO4Si/c1-6-24-27(25-7-2,26-8-3)21-14-19(22)10-9-18(21)15-23-20-12-16(4)11-17(5)13-20/h9-14H,6-8,15H2,1-5H3.
What are the key properties of [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane?
[2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane has a molecular weight of 392.54 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethylphenoxy)methyl]-5-fluorophenyl]-triethoxysilane is sourced from PubChem (CID 167440330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).