3-triethoxysilylpropyl but-2-enoate

C13H26O5Si — CID 54397623

IUPAC3-triethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O5Si/c1-5-10-13(14)15-11-9-12-19(16-6-2,17-7-3)18-8-4/h5,10H,6-9,11-12H2,1-4H3
InChIKeyVLDGDHUUVXSDKE-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.54
Rot. Bonds11

About 3-triethoxysilylpropyl but-2-enoate

3-triethoxysilylpropyl but-2-enoate (PubChem CID 54397623) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-triethoxysilylpropyl but-2-enoate.

Molecular Properties

Compound Name3-triethoxysilylpropyl but-2-enoate
PubChem CID54397623
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-triethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C13H26O5Si/c1-5-10-13(14)15-11-9-12-19(16-6-2,17-7-3)18-8-4/h5,10H,6-9,11-12H2,1-4H3
InChIKeyVLDGDHUUVXSDKE-UHFFFAOYSA-N
XLogP2.54
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.54
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-triethoxysilylpropyl but-2-enoate?
The IUPAC name of 3-triethoxysilylpropyl but-2-enoate (CID 54397623) is 3-triethoxysilylpropyl but-2-enoate.
What is the SMILES notation for 3-triethoxysilylpropyl but-2-enoate?
The canonical SMILES for 3-triethoxysilylpropyl but-2-enoate is CC=CC(=O)OCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of 3-triethoxysilylpropyl but-2-enoate?
The InChIKey is VLDGDHUUVXSDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-5-10-13(14)15-11-9-12-19(16-6-2,17-7-3)18-8-4/h5,10H,6-9,11-12H2,1-4H3.
What are the key properties of 3-triethoxysilylpropyl but-2-enoate?
3-triethoxysilylpropyl but-2-enoate has a molecular weight of 290.43 g/mol, XLogP of 2.54, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-triethoxysilylpropyl but-2-enoate is sourced from PubChem (CID 54397623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).