(2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane

C14H21N3OSi — CID 154477594

IUPAC(2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCC(C)(C)OC[SiH](Cn1cncn1)c1ccccc1
InChIInChI=1S/C14H21N3OSi/c1-14(2,3)18-12-19(11-17-10-15-9-16-17)13-7-5-4-6-8-13/h4-10,19H,11-12H2,1-3H3
InChIKeyAMKNZGJLHXZHKH-UHFFFAOYSA-N
MW275.43 g/mol
LogP1.31
Rot. Bonds5

About (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane

(2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane (PubChem CID 154477594) has the molecular formula C14H21N3OSi and a molecular weight of 275.43 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
PubChem CID154477594
Molecular FormulaC14H21N3OSi
Molecular Weight275.43 g/mol
Exact Mass275.15
IUPAC Name(2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane
SMILESCC(C)(C)OC[SiH](Cn1cncn1)c1ccccc1
InChIInChI=1S/C14H21N3OSi/c1-14(2,3)18-12-19(11-17-10-15-9-16-17)13-7-5-4-6-8-13/h4-10,19H,11-12H2,1-3H3
InChIKeyAMKNZGJLHXZHKH-UHFFFAOYSA-N
XLogP1.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 51.31
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-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
The IUPAC name of (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane (CID 154477594) is (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane.
What is the SMILES notation for (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
The canonical SMILES for (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane is CC(C)(C)OC[SiH](Cn1cncn1)c1ccccc1.
What is the InChIKey of (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
The InChIKey is AMKNZGJLHXZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OSi/c1-14(2,3)18-12-19(11-17-10-15-9-16-17)13-7-5-4-6-8-13/h4-10,19H,11-12H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane?
(2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane has a molecular weight of 275.43 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxymethyl-phenyl-(1,2,4-triazol-1-ylmethyl)silane is sourced from PubChem (CID 154477594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).