[(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate

C8H18O3SSi — CID 135083887

IUPAC[(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate
SMILESC[Si](C)(C)/C=C\CCOS(C)(=O)=O
InChIInChI=1S/C8H18O3SSi/c1-12(9,10)11-7-5-6-8-13(2,3)4/h6,8H,5,7H2,1-4H3/b8-6-
InChIKeyUIVOMULTEDJEMA-VURMDHGXSA-N
MW222.38 g/mol
LogP1.79
Rot. Bonds5

About [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate

[(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate (PubChem CID 135083887) has the molecular formula C8H18O3SSi and a molecular weight of 222.38 g/mol. Its IUPAC name is [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate.

Molecular Properties

Compound Name[(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate
PubChem CID135083887
Molecular FormulaC8H18O3SSi
Molecular Weight222.38 g/mol
Exact Mass222.07
IUPAC Name[(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate
SMILESC[Si](C)(C)/C=C\CCOS(C)(=O)=O
InChIInChI=1S/C8H18O3SSi/c1-12(9,10)11-7-5-6-8-13(2,3)4/h6,8H,5,7H2,1-4H3/b8-6-
InChIKeyUIVOMULTEDJEMA-VURMDHGXSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate?
The IUPAC name of [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate (CID 135083887) is [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate.
What is the SMILES notation for [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate?
The canonical SMILES for [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate is C[Si](C)(C)/C=C\CCOS(C)(=O)=O.
What is the InChIKey of [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate?
The InChIKey is UIVOMULTEDJEMA-VURMDHGXSA-N. The full InChI is InChI=1S/C8H18O3SSi/c1-12(9,10)11-7-5-6-8-13(2,3)4/h6,8H,5,7H2,1-4H3/b8-6-.
What are the key properties of [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate?
[(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate has a molecular weight of 222.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-trimethylsilylbut-3-enyl] methanesulfonate is sourced from PubChem (CID 135083887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).