[3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane

C11H21N3OSi — CID 54249860

IUPAC[3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane
SMILESCC(C)(C)C(=Cn1cncn1)O[Si](C)(C)C
InChIInChI=1S/C11H21N3OSi/c1-11(2,3)10(15-16(4,5)6)7-14-9-12-8-13-14/h7-9H,1-6H3
InChIKeyQVZJPSQGHPNURJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.97
Rot. Bonds3

About [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane

[3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane (PubChem CID 54249860) has the molecular formula C11H21N3OSi and a molecular weight of 239.40 g/mol. Its IUPAC name is [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane
PubChem CID54249860
Molecular FormulaC11H21N3OSi
Molecular Weight239.40 g/mol
Exact Mass239.15
IUPAC Name[3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane
SMILESCC(C)(C)C(=Cn1cncn1)O[Si](C)(C)C
InChIInChI=1S/C11H21N3OSi/c1-11(2,3)10(15-16(4,5)6)7-14-9-12-8-13-14/h7-9H,1-6H3
InChIKeyQVZJPSQGHPNURJ-UHFFFAOYSA-N
XLogP2.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane 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 [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane?
The IUPAC name of [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane (CID 54249860) is [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane?
The canonical SMILES for [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane is CC(C)(C)C(=Cn1cncn1)O[Si](C)(C)C.
What is the InChIKey of [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane?
The InChIKey is QVZJPSQGHPNURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OSi/c1-11(2,3)10(15-16(4,5)6)7-14-9-12-8-13-14/h7-9H,1-6H3.
What are the key properties of [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane?
[3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane has a molecular weight of 239.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(1,2,4-triazol-1-yl)but-1-en-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 54249860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).