[dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate

C10H16O6Si — CID 175761895

IUPAC[dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate
SMILESCC(=O)CC(=O)O[Si](C)(C)OC(=O)CC(C)=O
InChIInChI=1S/C10H16O6Si/c1-7(11)5-9(13)15-17(3,4)16-10(14)6-8(2)12/h5-6H2,1-4H3
InChIKeyUEGRUDKRFFYIBI-UHFFFAOYSA-N
MW260.32 g/mol
LogP0.73
Rot. Bonds6

About [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate

[dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate (PubChem CID 175761895) has the molecular formula C10H16O6Si and a molecular weight of 260.32 g/mol. Its IUPAC name is [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate.

Molecular Properties

Compound Name[dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate
PubChem CID175761895
Molecular FormulaC10H16O6Si
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate
SMILESCC(=O)CC(=O)O[Si](C)(C)OC(=O)CC(C)=O
InChIInChI=1S/C10H16O6Si/c1-7(11)5-9(13)15-17(3,4)16-10(14)6-8(2)12/h5-6H2,1-4H3
InChIKeyUEGRUDKRFFYIBI-UHFFFAOYSA-N
XLogP0.73
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 50.73
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 [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate?
The IUPAC name of [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate (CID 175761895) is [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate.
What is the SMILES notation for [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate?
The canonical SMILES for [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate is CC(=O)CC(=O)O[Si](C)(C)OC(=O)CC(C)=O.
What is the InChIKey of [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate?
The InChIKey is UEGRUDKRFFYIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6Si/c1-7(11)5-9(13)15-17(3,4)16-10(14)6-8(2)12/h5-6H2,1-4H3.
What are the key properties of [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate?
[dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate has a molecular weight of 260.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(3-oxobutanoyloxy)silyl] 3-oxobutanoate is sourced from PubChem (CID 175761895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).