trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane

C9H17N3OSi — CID 70382355

IUPACtrimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane
SMILESCCC(=Cn1cncn1)O[Si](C)(C)C
InChIInChI=1S/C9H17N3OSi/c1-5-9(13-14(2,3)4)6-12-8-10-7-11-12/h6-8H,5H2,1-4H3
InChIKeyJVZSQWMBUICAAH-UHFFFAOYSA-N
MW211.34 g/mol
LogP2.34
Rot. Bonds4

About trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane

trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane (PubChem CID 70382355) has the molecular formula C9H17N3OSi and a molecular weight of 211.34 g/mol. Its IUPAC name is trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane
PubChem CID70382355
Molecular FormulaC9H17N3OSi
Molecular Weight211.34 g/mol
Exact Mass211.11
IUPAC Nametrimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane
SMILESCCC(=Cn1cncn1)O[Si](C)(C)C
InChIInChI=1S/C9H17N3OSi/c1-5-9(13-14(2,3)4)6-12-8-10-7-11-12/h6-8H,5H2,1-4H3
InChIKeyJVZSQWMBUICAAH-UHFFFAOYSA-N
XLogP2.34
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.34
LogP ≤ 52.34
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
The IUPAC name of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane (CID 70382355) is trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane.
What is the SMILES notation for trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
The canonical SMILES for trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane is CCC(=Cn1cncn1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
The InChIKey is JVZSQWMBUICAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OSi/c1-5-9(13-14(2,3)4)6-12-8-10-7-11-12/h6-8H,5H2,1-4H3.
What are the key properties of trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane has a molecular weight of 211.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane is sourced from PubChem (CID 70382355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).