[(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate

C8H11F3O3SSi — CID 101033663

IUPAC[(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate
SMILESC[Si](C)(C)C#C/C=C\OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H11F3O3SSi/c1-16(2,3)7-5-4-6-14-15(12,13)8(9,10)11/h4,6H,1-3H3/b6-4-
InChIKeyKDDDHBRJAZOANK-XQRVVYSFSA-N
MW272.32 g/mol
LogP2.25
Rot. Bonds2

About [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate

[(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate (PubChem CID 101033663) has the molecular formula C8H11F3O3SSi and a molecular weight of 272.32 g/mol. Its IUPAC name is [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate
PubChem CID101033663
Molecular FormulaC8H11F3O3SSi
Molecular Weight272.32 g/mol
Exact Mass272.02
IUPAC Name[(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate
SMILESC[Si](C)(C)C#C/C=C\OS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H11F3O3SSi/c1-16(2,3)7-5-4-6-14-15(12,13)8(9,10)11/h4,6H,1-3H3/b6-4-
InChIKeyKDDDHBRJAZOANK-XQRVVYSFSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate 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 [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate?
The IUPAC name of [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate (CID 101033663) is [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate.
What is the SMILES notation for [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate?
The canonical SMILES for [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate is C[Si](C)(C)C#C/C=C\OS(=O)(=O)C(F)(F)F.
What is the InChIKey of [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate?
The InChIKey is KDDDHBRJAZOANK-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H11F3O3SSi/c1-16(2,3)7-5-4-6-14-15(12,13)8(9,10)11/h4,6H,1-3H3/b6-4-.
What are the key properties of [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate?
[(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate has a molecular weight of 272.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-trimethylsilylbut-1-en-3-ynyl] trifluoromethanesulfonate is sourced from PubChem (CID 101033663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).