[(E)-3-trimethylsilylprop-2-enyl] methanesulfonate

C7H16O3SSi — CID 91998710

IUPAC[(E)-3-trimethylsilylprop-2-enyl] methanesulfonate
SMILESC[Si](C)(C)/C=C/COS(C)(=O)=O
InChIInChI=1S/C7H16O3SSi/c1-11(8,9)10-6-5-7-12(2,3)4/h5,7H,6H2,1-4H3/b7-5+
InChIKeyDXNBQHOYNITACH-FNORWQNLSA-N
MW208.35 g/mol
LogP1.40
Rot. Bonds4

About [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate

[(E)-3-trimethylsilylprop-2-enyl] methanesulfonate (PubChem CID 91998710) has the molecular formula C7H16O3SSi and a molecular weight of 208.35 g/mol. Its IUPAC name is [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate.

Molecular Properties

Compound Name[(E)-3-trimethylsilylprop-2-enyl] methanesulfonate
PubChem CID91998710
Molecular FormulaC7H16O3SSi
Molecular Weight208.35 g/mol
Exact Mass208.06
IUPAC Name[(E)-3-trimethylsilylprop-2-enyl] methanesulfonate
SMILESC[Si](C)(C)/C=C/COS(C)(=O)=O
InChIInChI=1S/C7H16O3SSi/c1-11(8,9)10-6-5-7-12(2,3)4/h5,7H,6H2,1-4H3/b7-5+
InChIKeyDXNBQHOYNITACH-FNORWQNLSA-N
XLogP1.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate?
The IUPAC name of [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate (CID 91998710) is [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate.
What is the SMILES notation for [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate?
The canonical SMILES for [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate is C[Si](C)(C)/C=C/COS(C)(=O)=O.
What is the InChIKey of [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate?
The InChIKey is DXNBQHOYNITACH-FNORWQNLSA-N. The full InChI is InChI=1S/C7H16O3SSi/c1-11(8,9)10-6-5-7-12(2,3)4/h5,7H,6H2,1-4H3/b7-5+.
What are the key properties of [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate?
[(E)-3-trimethylsilylprop-2-enyl] methanesulfonate has a molecular weight of 208.35 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-trimethylsilylprop-2-enyl] methanesulfonate is sourced from PubChem (CID 91998710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).