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

C10H20O5Si — CID 58760844

IUPAC3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate
SMILESCO[Si](C)(CCCOC(=O)CC(C)=O)OC
InChIInChI=1S/C10H20O5Si/c1-9(11)8-10(12)15-6-5-7-16(4,13-2)14-3/h5-8H2,1-4H3
InChIKeySQXUKSWGIVFFBV-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.26
Rot. Bonds8

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

3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate (PubChem CID 58760844) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate
PubChem CID58760844
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate
SMILESCO[Si](C)(CCCOC(=O)CC(C)=O)OC
InChIInChI=1S/C10H20O5Si/c1-9(11)8-10(12)15-6-5-7-16(4,13-2)14-3/h5-8H2,1-4H3
InChIKeySQXUKSWGIVFFBV-UHFFFAOYSA-N
XLogP1.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.26
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-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate (CID 58760844) is 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate is CO[Si](C)(CCCOC(=O)CC(C)=O)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate?
The InChIKey is SQXUKSWGIVFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si/c1-9(11)8-10(12)15-6-5-7-16(4,13-2)14-3/h5-8H2,1-4H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate?
3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate has a molecular weight of 248.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propyl 3-oxobutanoate is sourced from PubChem (CID 58760844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).