2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione

C13H24O5Si — CID 57021530

IUPAC2-methyl-6-triethoxysilylhex-1-ene-3,4-dione
SMILESCCO[Si](CCC(=O)C(=O)C(=C)C)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-6-16-19(17-7-2,18-8-3)10-9-12(14)13(15)11(4)5/h4,6-10H2,1-3,5H3
InChIKeyOWXVGIXHNINPDF-UHFFFAOYSA-N
MW288.41 g/mol
LogP—
Rot. Bonds11

About 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione

2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione (PubChem CID 57021530) has the molecular formula C13H24O5Si and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-methyl-6-triethoxysilylhex-1-ene-3,4-dione.

Molecular Properties

Compound Name2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione
PubChem CID57021530
Molecular FormulaC13H24O5Si
Molecular Weight288.41 g/mol
Exact Mass288.14
IUPAC Name2-methyl-6-triethoxysilylhex-1-ene-3,4-dione
SMILESCCO[Si](CCC(=O)C(=O)C(=C)C)(OCC)OCC
InChIInChI=1S/C13H24O5Si/c1-6-16-19(17-7-2,18-8-3)10-9-12(14)13(15)11(4)5/h4,6-10H2,1-3,5H3
InChIKeyOWXVGIXHNINPDF-UHFFFAOYSA-N
XLogP—
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity310

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione?
The IUPAC name of 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione (CID 57021530) is 2-methyl-6-triethoxysilylhex-1-ene-3,4-dione.
What is the SMILES notation for 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione?
The canonical SMILES for 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione is CCO[Si](CCC(=O)C(=O)C(=C)C)(OCC)OCC.
What is the InChIKey of 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione?
The InChIKey is OWXVGIXHNINPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5Si/c1-6-16-19(17-7-2,18-8-3)10-9-12(14)13(15)11(4)5/h4,6-10H2,1-3,5H3.
What are the key properties of 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione?
2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione has a molecular weight of 288.41 g/mol, XLogP of not available, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-6-triethoxysilylhex-1-ene-3,4-dione is sourced from PubChem (CID 57021530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).