[(E)-4-triethoxysilylbut-3-enyl] acetate

C12H24O5Si — CID 59913481

IUPAC[(E)-4-triethoxysilylbut-3-enyl] acetate
SMILESCCO[Si](/C=C/CCOC(C)=O)(OCC)OCC
InChIInChI=1S/C12H24O5Si/c1-5-15-18(16-6-2,17-7-3)11-9-8-10-14-12(4)13/h9,11H,5-8,10H2,1-4H3/b11-9+
InChIKeyADCMDVMFQXHVBX-PKNBQFBNSA-N
MW276.40 g/mol
LogP2.08
Rot. Bonds10

About [(E)-4-triethoxysilylbut-3-enyl] acetate

[(E)-4-triethoxysilylbut-3-enyl] acetate (PubChem CID 59913481) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is [(E)-4-triethoxysilylbut-3-enyl] acetate.

Molecular Properties

Compound Name[(E)-4-triethoxysilylbut-3-enyl] acetate
PubChem CID59913481
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name[(E)-4-triethoxysilylbut-3-enyl] acetate
SMILESCCO[Si](/C=C/CCOC(C)=O)(OCC)OCC
InChIInChI=1S/C12H24O5Si/c1-5-15-18(16-6-2,17-7-3)11-9-8-10-14-12(4)13/h9,11H,5-8,10H2,1-4H3/b11-9+
InChIKeyADCMDVMFQXHVBX-PKNBQFBNSA-N
XLogP2.08
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-triethoxysilylbut-3-enyl] acetate?
The IUPAC name of [(E)-4-triethoxysilylbut-3-enyl] acetate (CID 59913481) is [(E)-4-triethoxysilylbut-3-enyl] acetate.
What is the SMILES notation for [(E)-4-triethoxysilylbut-3-enyl] acetate?
The canonical SMILES for [(E)-4-triethoxysilylbut-3-enyl] acetate is CCO[Si](/C=C/CCOC(C)=O)(OCC)OCC.
What is the InChIKey of [(E)-4-triethoxysilylbut-3-enyl] acetate?
The InChIKey is ADCMDVMFQXHVBX-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-5-15-18(16-6-2,17-7-3)11-9-8-10-14-12(4)13/h9,11H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of [(E)-4-triethoxysilylbut-3-enyl] acetate?
[(E)-4-triethoxysilylbut-3-enyl] acetate has a molecular weight of 276.40 g/mol, XLogP of 2.08, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-triethoxysilylbut-3-enyl] acetate is sourced from PubChem (CID 59913481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).