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

C14H28O5Si — CID 15717282

IUPAC3-(3-triethoxysilylpropyl)pentane-2,4-dione
SMILESCCO[Si](CCCC(C(C)=O)C(C)=O)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-14(12(4)15)13(5)16/h14H,6-11H2,1-5H3
InChIKeyHASQGEBWKCWWLL-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.61
Rot. Bonds12

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

3-(3-triethoxysilylpropyl)pentane-2,4-dione (PubChem CID 15717282) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-(3-triethoxysilylpropyl)pentane-2,4-dione.

Molecular Properties

Compound Name3-(3-triethoxysilylpropyl)pentane-2,4-dione
PubChem CID15717282
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name3-(3-triethoxysilylpropyl)pentane-2,4-dione
SMILESCCO[Si](CCCC(C(C)=O)C(C)=O)(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-14(12(4)15)13(5)16/h14H,6-11H2,1-5H3
InChIKeyHASQGEBWKCWWLL-UHFFFAOYSA-N
XLogP2.61
TPSA61.83 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 ≤ 52.61
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-(3-triethoxysilylpropyl)pentane-2,4-dione?
The IUPAC name of 3-(3-triethoxysilylpropyl)pentane-2,4-dione (CID 15717282) is 3-(3-triethoxysilylpropyl)pentane-2,4-dione.
What is the SMILES notation for 3-(3-triethoxysilylpropyl)pentane-2,4-dione?
The canonical SMILES for 3-(3-triethoxysilylpropyl)pentane-2,4-dione is CCO[Si](CCCC(C(C)=O)C(C)=O)(OCC)OCC.
What is the InChIKey of 3-(3-triethoxysilylpropyl)pentane-2,4-dione?
The InChIKey is HASQGEBWKCWWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-6-17-20(18-7-2,19-8-3)11-9-10-14(12(4)15)13(5)16/h14H,6-11H2,1-5H3.
What are the key properties of 3-(3-triethoxysilylpropyl)pentane-2,4-dione?
3-(3-triethoxysilylpropyl)pentane-2,4-dione has a molecular weight of 304.46 g/mol, XLogP of 2.61, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-triethoxysilylpropyl)pentane-2,4-dione is sourced from PubChem (CID 15717282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).