1-trimethoxysilylpropyl 3-oxobutanoate

C10H20O6Si — CID 22186350

IUPAC1-trimethoxysilylpropyl 3-oxobutanoate
SMILESCCC(OC(=O)CC(C)=O)[Si](OC)(OC)OC
InChIInChI=1S/C10H20O6Si/c1-6-10(16-9(12)7-8(2)11)17(13-3,14-4)15-5/h10H,6-7H2,1-5H3
InChIKeyHLDDNRDMNRGMEF-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.70
Rot. Bonds8

About 1-trimethoxysilylpropyl 3-oxobutanoate

1-trimethoxysilylpropyl 3-oxobutanoate (PubChem CID 22186350) has the molecular formula C10H20O6Si and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-trimethoxysilylpropyl 3-oxobutanoate.

Molecular Properties

Compound Name1-trimethoxysilylpropyl 3-oxobutanoate
PubChem CID22186350
Molecular FormulaC10H20O6Si
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-trimethoxysilylpropyl 3-oxobutanoate
SMILESCCC(OC(=O)CC(C)=O)[Si](OC)(OC)OC
InChIInChI=1S/C10H20O6Si/c1-6-10(16-9(12)7-8(2)11)17(13-3,14-4)15-5/h10H,6-7H2,1-5H3
InChIKeyHLDDNRDMNRGMEF-UHFFFAOYSA-N
XLogP0.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-trimethoxysilylpropyl 3-oxobutanoate?
The IUPAC name of 1-trimethoxysilylpropyl 3-oxobutanoate (CID 22186350) is 1-trimethoxysilylpropyl 3-oxobutanoate.
What is the SMILES notation for 1-trimethoxysilylpropyl 3-oxobutanoate?
The canonical SMILES for 1-trimethoxysilylpropyl 3-oxobutanoate is CCC(OC(=O)CC(C)=O)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropyl 3-oxobutanoate?
The InChIKey is HLDDNRDMNRGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6Si/c1-6-10(16-9(12)7-8(2)11)17(13-3,14-4)15-5/h10H,6-7H2,1-5H3.
What are the key properties of 1-trimethoxysilylpropyl 3-oxobutanoate?
1-trimethoxysilylpropyl 3-oxobutanoate has a molecular weight of 264.35 g/mol, XLogP of 0.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropyl 3-oxobutanoate is sourced from PubChem (CID 22186350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).