[(E)-but-2-enyl] 2-trimethylsilyloxyacetate

C9H18O3Si — CID 88550323

IUPAC[(E)-but-2-enyl] 2-trimethylsilyloxyacetate
SMILESC/C=C/COC(=O)CO[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-5-6-7-11-9(10)8-12-13(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyILHHDICBSBBZDO-AATRIKPKSA-N
MW202.33 g/mol
LogP1.96
Rot. Bonds5

About [(E)-but-2-enyl] 2-trimethylsilyloxyacetate

[(E)-but-2-enyl] 2-trimethylsilyloxyacetate (PubChem CID 88550323) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-trimethylsilyloxyacetate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-trimethylsilyloxyacetate
PubChem CID88550323
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Name[(E)-but-2-enyl] 2-trimethylsilyloxyacetate
SMILESC/C=C/COC(=O)CO[Si](C)(C)C
InChIInChI=1S/C9H18O3Si/c1-5-6-7-11-9(10)8-12-13(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyILHHDICBSBBZDO-AATRIKPKSA-N
XLogP1.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-but-2-enyl] 2-trimethylsilyloxyacetate?
The IUPAC name of [(E)-but-2-enyl] 2-trimethylsilyloxyacetate (CID 88550323) is [(E)-but-2-enyl] 2-trimethylsilyloxyacetate.
What is the SMILES notation for [(E)-but-2-enyl] 2-trimethylsilyloxyacetate?
The canonical SMILES for [(E)-but-2-enyl] 2-trimethylsilyloxyacetate is C/C=C/COC(=O)CO[Si](C)(C)C.
What is the InChIKey of [(E)-but-2-enyl] 2-trimethylsilyloxyacetate?
The InChIKey is ILHHDICBSBBZDO-AATRIKPKSA-N. The full InChI is InChI=1S/C9H18O3Si/c1-5-6-7-11-9(10)8-12-13(2,3)4/h5-6H,7-8H2,1-4H3/b6-5+.
What are the key properties of [(E)-but-2-enyl] 2-trimethylsilyloxyacetate?
[(E)-but-2-enyl] 2-trimethylsilyloxyacetate has a molecular weight of 202.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-trimethylsilyloxyacetate is sourced from PubChem (CID 88550323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).