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

C9H17N3OSi — CID 70382358

IUPACtrimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane
SMILESC=C(CCn1cncn1)O[Si](C)(C)C
InChIInChI=1S/C9H17N3OSi/c1-9(13-14(2,3)4)5-6-12-8-10-7-11-12/h7-8H,1,5-6H2,2-4H3
InChIKeyZLAQOZJQLVHYIV-UHFFFAOYSA-N
MW211.34 g/mol
LogP2.03
Rot. Bonds5

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

trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane (PubChem CID 70382358) has the molecular formula C9H17N3OSi and a molecular weight of 211.34 g/mol. Its IUPAC name is trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane
PubChem CID70382358
Molecular FormulaC9H17N3OSi
Molecular Weight211.34 g/mol
Exact Mass211.11
IUPAC Nametrimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane
SMILESC=C(CCn1cncn1)O[Si](C)(C)C
InChIInChI=1S/C9H17N3OSi/c1-9(13-14(2,3)4)5-6-12-8-10-7-11-12/h7-8H,1,5-6H2,2-4H3
InChIKeyZLAQOZJQLVHYIV-UHFFFAOYSA-N
XLogP2.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.34
LogP ≤ 52.03
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-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
The IUPAC name of trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane (CID 70382358) is trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane.
What is the SMILES notation for trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
The canonical SMILES for trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane is C=C(CCn1cncn1)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
The InChIKey is ZLAQOZJQLVHYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OSi/c1-9(13-14(2,3)4)5-6-12-8-10-7-11-12/h7-8H,1,5-6H2,2-4H3.
What are the key properties of trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane?
trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane has a molecular weight of 211.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(1,2,4-triazol-1-yl)but-1-en-2-yloxy]silane is sourced from PubChem (CID 70382358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).