trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane

C13H21N3OSi — CID 101039918

IUPACtrimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane
SMILESCC(C)OCn1nnc2c([Si](C)(C)C)cccc21
InChIInChI=1S/C13H21N3OSi/c1-10(2)17-9-16-11-7-6-8-12(18(3,4)5)13(11)14-15-16/h6-8,10H,9H2,1-5H3
InChIKeySTQRFFQNMZNSSW-UHFFFAOYSA-N
MW263.42 g/mol
LogP2.36
Rot. Bonds4

About trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane

trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane (PubChem CID 101039918) has the molecular formula C13H21N3OSi and a molecular weight of 263.42 g/mol. Its IUPAC name is trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane
PubChem CID101039918
Molecular FormulaC13H21N3OSi
Molecular Weight263.42 g/mol
Exact Mass263.15
IUPAC Nametrimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane
SMILESCC(C)OCn1nnc2c([Si](C)(C)C)cccc21
InChIInChI=1S/C13H21N3OSi/c1-10(2)17-9-16-11-7-6-8-12(18(3,4)5)13(11)14-15-16/h6-8,10H,9H2,1-5H3
InChIKeySTQRFFQNMZNSSW-UHFFFAOYSA-N
XLogP2.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane?
The IUPAC name of trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane (CID 101039918) is trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane.
What is the SMILES notation for trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane?
The canonical SMILES for trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane is CC(C)OCn1nnc2c([Si](C)(C)C)cccc21.
What is the InChIKey of trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane?
The InChIKey is STQRFFQNMZNSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OSi/c1-10(2)17-9-16-11-7-6-8-12(18(3,4)5)13(11)14-15-16/h6-8,10H,9H2,1-5H3.
What are the key properties of trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane?
trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane has a molecular weight of 263.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(propan-2-yloxymethyl)benzotriazol-4-yl]silane is sourced from PubChem (CID 101039918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).