1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate

C9H16O5Si — CID 13111115

IUPAC1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate
SMILESCOC(=O)CC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H16O5Si/c1-13-8(11)5-7(10)6-9(12)14-15(2,3)4/h5-6H2,1-4H3
InChIKeyJIFWNRBXVFDXGX-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.89
Rot. Bonds5

About 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate

1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate (PubChem CID 13111115) has the molecular formula C9H16O5Si and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate
PubChem CID13111115
Molecular FormulaC9H16O5Si
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate
SMILESCOC(=O)CC(=O)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H16O5Si/c1-13-8(11)5-7(10)6-9(12)14-15(2,3)4/h5-6H2,1-4H3
InChIKeyJIFWNRBXVFDXGX-UHFFFAOYSA-N
XLogP0.89
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate?
The IUPAC name of 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate (CID 13111115) is 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate?
The canonical SMILES for 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate is COC(=O)CC(=O)CC(=O)O[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate?
The InChIKey is JIFWNRBXVFDXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5Si/c1-13-8(11)5-7(10)6-9(12)14-15(2,3)4/h5-6H2,1-4H3.
What are the key properties of 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate?
1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate has a molecular weight of 232.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-trimethylsilyl 3-oxopentanedioate is sourced from PubChem (CID 13111115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).