[(E)-6-triethoxysilylhex-5-enyl] acetate

C14H28O5Si — CID 11324172

IUPAC[(E)-6-triethoxysilylhex-5-enyl] acetate
SMILESCCO[Si](/C=C/CCCCOC(C)=O)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-5-17-20(18-6-2,19-7-3)13-11-9-8-10-12-16-14(4)15/h11,13H,5-10,12H2,1-4H3/b13-11+
InChIKeyJXGPUIHDWVDXEK-ACCUITESSA-N
MW304.46 g/mol
LogP2.86
Rot. Bonds12

About [(E)-6-triethoxysilylhex-5-enyl] acetate

[(E)-6-triethoxysilylhex-5-enyl] acetate (PubChem CID 11324172) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is [(E)-6-triethoxysilylhex-5-enyl] acetate.

Molecular Properties

Compound Name[(E)-6-triethoxysilylhex-5-enyl] acetate
PubChem CID11324172
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name[(E)-6-triethoxysilylhex-5-enyl] acetate
SMILESCCO[Si](/C=C/CCCCOC(C)=O)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-5-17-20(18-6-2,19-7-3)13-11-9-8-10-12-16-14(4)15/h11,13H,5-10,12H2,1-4H3/b13-11+
InChIKeyJXGPUIHDWVDXEK-ACCUITESSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.86
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'}

Analyze [(E)-6-triethoxysilylhex-5-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-dec-5-enyl] acetate
CID 5363513
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
20-acetyloxyicos-11-enyl acetate
CID 537116
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
triethyl [(E)-6-triethoxysilylhex-5-enyl] silicate
CID 139977986
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023
hexadec-8-enyl acetate
CID 538136
[(Z)-tridec-10-enyl] acetate
CID 13086957
octadec-8-enyl acetate
CID 538134

Frequently Asked Questions

What is the IUPAC name of [(E)-6-triethoxysilylhex-5-enyl] acetate?
The IUPAC name of [(E)-6-triethoxysilylhex-5-enyl] acetate (CID 11324172) is [(E)-6-triethoxysilylhex-5-enyl] acetate.
What is the SMILES notation for [(E)-6-triethoxysilylhex-5-enyl] acetate?
The canonical SMILES for [(E)-6-triethoxysilylhex-5-enyl] acetate is CCO[Si](/C=C/CCCCOC(C)=O)(OCC)OCC.
What is the InChIKey of [(E)-6-triethoxysilylhex-5-enyl] acetate?
The InChIKey is JXGPUIHDWVDXEK-ACCUITESSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-5-17-20(18-6-2,19-7-3)13-11-9-8-10-12-16-14(4)15/h11,13H,5-10,12H2,1-4H3/b13-11+.
What are the key properties of [(E)-6-triethoxysilylhex-5-enyl] acetate?
[(E)-6-triethoxysilylhex-5-enyl] acetate has a molecular weight of 304.46 g/mol, XLogP of 2.86, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-triethoxysilylhex-5-enyl] acetate is sourced from PubChem (CID 11324172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).