[(E)-3-triethoxysilylprop-2-enyl] propanoate

C12H24O5Si — CID 101209443

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

About [(E)-3-triethoxysilylprop-2-enyl] propanoate

[(E)-3-triethoxysilylprop-2-enyl] propanoate (PubChem CID 101209443) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is [(E)-3-triethoxysilylprop-2-enyl] propanoate.

Molecular Properties

Compound Name[(E)-3-triethoxysilylprop-2-enyl] propanoate
PubChem CID101209443
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name[(E)-3-triethoxysilylprop-2-enyl] propanoate
SMILESCCO[Si](/C=C/COC(=O)CC)(OCC)OCC
InChIInChI=1S/C12H24O5Si/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4/h9,11H,5-8,10H2,1-4H3/b11-9+
InChIKeyKICHVGRTDMFNNJ-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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-triethoxysilylprop-2-enyl 2-methylprop-2-enoate
CID 86216311
alumane;ethyl propanoate
CID 174257559
penta-2,4-dienyl propanoate
CID 54073728
[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172
[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate
CID 15624868
(E)-3-triethoxysilylprop-2-ene-1-sulfonic acid
CID 101254113
azane;prop-2-enyl propanoate
CID 87729437
propan-2-one;prop-2-enyl propanoate
CID 174904905
chloromethane;prop-2-enyl propanoate
CID 174815872
ethyl propanoate;methane
CID 161360642
diethyl 2-(2-cyclopropylideneethyl)-2-[(E)-3-triethoxysilylprop-2-enyl]propanedioate
CID 102112824
tert-butyl (E)-4-propanoyloxybut-2-enoate
CID 15402795

Frequently Asked Questions

What is the IUPAC name of [(E)-3-triethoxysilylprop-2-enyl] propanoate?
The IUPAC name of [(E)-3-triethoxysilylprop-2-enyl] propanoate (CID 101209443) is [(E)-3-triethoxysilylprop-2-enyl] propanoate.
What is the SMILES notation for [(E)-3-triethoxysilylprop-2-enyl] propanoate?
The canonical SMILES for [(E)-3-triethoxysilylprop-2-enyl] propanoate is CCO[Si](/C=C/COC(=O)CC)(OCC)OCC.
What is the InChIKey of [(E)-3-triethoxysilylprop-2-enyl] propanoate?
The InChIKey is KICHVGRTDMFNNJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-5-12(13)14-10-9-11-18(15-6-2,16-7-3)17-8-4/h9,11H,5-8,10H2,1-4H3/b11-9+.
What are the key properties of [(E)-3-triethoxysilylprop-2-enyl] propanoate?
[(E)-3-triethoxysilylprop-2-enyl] propanoate 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)-3-triethoxysilylprop-2-enyl] propanoate is sourced from PubChem (CID 101209443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).