tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane

C12H25N3OSi — CID 156635681

IUPACtert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane
SMILESCCc1nnn(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25N3OSi/c1-8-10-11(15(5)14-13-10)9-16-17(6,7)12(2,3)4/h8-9H2,1-7H3
InChIKeyYCLYWTIFLSCXCF-UHFFFAOYSA-N
MW255.44 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane

tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane (PubChem CID 156635681) has the molecular formula C12H25N3OSi and a molecular weight of 255.44 g/mol. Its IUPAC name is tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane
PubChem CID156635681
Molecular FormulaC12H25N3OSi
Molecular Weight255.44 g/mol
Exact Mass255.18
IUPAC Nametert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane
SMILESCCc1nnn(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25N3OSi/c1-8-10-11(15(5)14-13-10)9-16-17(6,7)12(2,3)4/h8-9H2,1-7H3
InChIKeyYCLYWTIFLSCXCF-UHFFFAOYSA-N
XLogP2.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane 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 tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane (CID 156635681) is tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane is CCc1nnn(C)c1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane?
The InChIKey is YCLYWTIFLSCXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3OSi/c1-8-10-11(15(5)14-13-10)9-16-17(6,7)12(2,3)4/h8-9H2,1-7H3.
What are the key properties of tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane?
tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane has a molecular weight of 255.44 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5-ethyl-3-methyltriazol-4-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 156635681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).