3-trimethoxysilylpropyl 3-oxobutanoate

C10H20O6Si — CID 22022576

IUPAC3-trimethoxysilylpropyl 3-oxobutanoate
SMILESCO[Si](CCCOC(=O)CC(C)=O)(OC)OC
InChIInChI=1S/C10H20O6Si/c1-9(11)8-10(12)16-6-5-7-17(13-2,14-3)15-4/h5-8H2,1-4H3
InChIKeyJLZKEFNAFBDTIM-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.78
Rot. Bonds9

About 3-trimethoxysilylpropyl 3-oxobutanoate

3-trimethoxysilylpropyl 3-oxobutanoate (PubChem CID 22022576) has the molecular formula C10H20O6Si and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 3-oxobutanoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 3-oxobutanoate
PubChem CID22022576
Molecular FormulaC10H20O6Si
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name3-trimethoxysilylpropyl 3-oxobutanoate
SMILESCO[Si](CCCOC(=O)CC(C)=O)(OC)OC
InChIInChI=1S/C10H20O6Si/c1-9(11)8-10(12)16-6-5-7-17(13-2,14-3)15-4/h5-8H2,1-4H3
InChIKeyJLZKEFNAFBDTIM-UHFFFAOYSA-N
XLogP0.78
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-trimethoxysilylpropyl 3-oxobutanoate?
The IUPAC name of 3-trimethoxysilylpropyl 3-oxobutanoate (CID 22022576) is 3-trimethoxysilylpropyl 3-oxobutanoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 3-oxobutanoate?
The canonical SMILES for 3-trimethoxysilylpropyl 3-oxobutanoate is CO[Si](CCCOC(=O)CC(C)=O)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 3-oxobutanoate?
The InChIKey is JLZKEFNAFBDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6Si/c1-9(11)8-10(12)16-6-5-7-17(13-2,14-3)15-4/h5-8H2,1-4H3.
What are the key properties of 3-trimethoxysilylpropyl 3-oxobutanoate?
3-trimethoxysilylpropyl 3-oxobutanoate has a molecular weight of 264.35 g/mol, XLogP of 0.78, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 3-oxobutanoate is sourced from PubChem (CID 22022576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).