3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate

C12H24O5Si — CID 58760848

IUPAC3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate
SMILESCCO[Si](C)(CCCOC(=O)CC(C)=O)OCC
InChIInChI=1S/C12H24O5Si/c1-5-16-18(4,17-6-2)9-7-8-15-12(14)10-11(3)13/h5-10H2,1-4H3
InChIKeyNQGGWLGFJZTOMS-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.04
Rot. Bonds10

About 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate

3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate (PubChem CID 58760848) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate
PubChem CID58760848
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate
SMILESCCO[Si](C)(CCCOC(=O)CC(C)=O)OCC
InChIInChI=1S/C12H24O5Si/c1-5-16-18(4,17-6-2)9-7-8-15-12(14)10-11(3)13/h5-10H2,1-4H3
InChIKeyNQGGWLGFJZTOMS-UHFFFAOYSA-N
XLogP2.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[diethoxy(methyl)silyl]propyl 3-oxobutanoate?
The IUPAC name of 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate (CID 58760848) is 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate is CCO[Si](C)(CCCOC(=O)CC(C)=O)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate?
The InChIKey is NQGGWLGFJZTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-5-16-18(4,17-6-2)9-7-8-15-12(14)10-11(3)13/h5-10H2,1-4H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate?
3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate has a molecular weight of 276.40 g/mol, XLogP of 2.04, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propyl 3-oxobutanoate is sourced from PubChem (CID 58760848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).