trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane

C15H23N3OSi — CID 70911861

IUPACtrimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc(-c2cn(COCC[Si](C)(C)C)nn2)cc1
InChIInChI=1S/C15H23N3OSi/c1-13-5-7-14(8-6-13)15-11-18(17-16-15)12-19-9-10-20(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyHINRKXFHMMLYAS-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.57
Rot. Bonds6

About trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane (PubChem CID 70911861) has the molecular formula C15H23N3OSi and a molecular weight of 289.45 g/mol. Its IUPAC name is trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane
PubChem CID70911861
Molecular FormulaC15H23N3OSi
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Nametrimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane
SMILESCc1ccc(-c2cn(COCC[Si](C)(C)C)nn2)cc1
InChIInChI=1S/C15H23N3OSi/c1-13-5-7-14(8-6-13)15-11-18(17-16-15)12-19-9-10-20(2,3)4/h5-8,11H,9-10,12H2,1-4H3
InChIKeyHINRKXFHMMLYAS-UHFFFAOYSA-N
XLogP3.57
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane (CID 70911861) is trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane is Cc1ccc(-c2cn(COCC[Si](C)(C)C)nn2)cc1.
What is the InChIKey of trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane?
The InChIKey is HINRKXFHMMLYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OSi/c1-13-5-7-14(8-6-13)15-11-18(17-16-15)12-19-9-10-20(2,3)4/h5-8,11H,9-10,12H2,1-4H3.
What are the key properties of trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane has a molecular weight of 289.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(4-methylphenyl)triazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 70911861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).