3-(2-triethoxysilylethyl)pentane-2,4-dione

C13H26O5Si — CID 86093850

IUPAC3-(2-triethoxysilylethyl)pentane-2,4-dione
SMILESCCO[Si](CCC(C(C)=O)C(C)=O)(OCC)OCC
InChIInChI=1S/C13H26O5Si/c1-6-16-19(17-7-2,18-8-3)10-9-13(11(4)14)12(5)15/h13H,6-10H2,1-5H3
InChIKeyMMOOYKSIOZMKQL-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.22
Rot. Bonds11

About 3-(2-triethoxysilylethyl)pentane-2,4-dione

3-(2-triethoxysilylethyl)pentane-2,4-dione (PubChem CID 86093850) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(2-triethoxysilylethyl)pentane-2,4-dione.

Molecular Properties

Compound Name3-(2-triethoxysilylethyl)pentane-2,4-dione
PubChem CID86093850
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-(2-triethoxysilylethyl)pentane-2,4-dione
SMILESCCO[Si](CCC(C(C)=O)C(C)=O)(OCC)OCC
InChIInChI=1S/C13H26O5Si/c1-6-16-19(17-7-2,18-8-3)10-9-13(11(4)14)12(5)15/h13H,6-10H2,1-5H3
InChIKeyMMOOYKSIOZMKQL-UHFFFAOYSA-N
XLogP2.22
TPSA61.83 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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-triethoxysilylethyl)pentane-2,4-dione?
The IUPAC name of 3-(2-triethoxysilylethyl)pentane-2,4-dione (CID 86093850) is 3-(2-triethoxysilylethyl)pentane-2,4-dione.
What is the SMILES notation for 3-(2-triethoxysilylethyl)pentane-2,4-dione?
The canonical SMILES for 3-(2-triethoxysilylethyl)pentane-2,4-dione is CCO[Si](CCC(C(C)=O)C(C)=O)(OCC)OCC.
What is the InChIKey of 3-(2-triethoxysilylethyl)pentane-2,4-dione?
The InChIKey is MMOOYKSIOZMKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-6-16-19(17-7-2,18-8-3)10-9-13(11(4)14)12(5)15/h13H,6-10H2,1-5H3.
What are the key properties of 3-(2-triethoxysilylethyl)pentane-2,4-dione?
3-(2-triethoxysilylethyl)pentane-2,4-dione has a molecular weight of 290.43 g/mol, XLogP of 2.22, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-triethoxysilylethyl)pentane-2,4-dione is sourced from PubChem (CID 86093850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).