5-[ethoxy(methyl)silyl]-2-oxooctanoic acid

C11H22O4Si — CID 173265343

IUPAC5-[ethoxy(methyl)silyl]-2-oxooctanoic acid
SMILESCCCC(CCC(=O)C(=O)O)[SiH](C)OCC
InChIInChI=1S/C11H22O4Si/c1-4-6-9(16(3)15-5-2)7-8-10(12)11(13)14/h9,16H,4-8H2,1-3H3,(H,13,14)
InChIKeyZMMMSJCWNIAOMV-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.98
Rot. Bonds9

About 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid

5-[ethoxy(methyl)silyl]-2-oxooctanoic acid (PubChem CID 173265343) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid.

Molecular Properties

Compound Name5-[ethoxy(methyl)silyl]-2-oxooctanoic acid
PubChem CID173265343
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name5-[ethoxy(methyl)silyl]-2-oxooctanoic acid
SMILESCCCC(CCC(=O)C(=O)O)[SiH](C)OCC
InChIInChI=1S/C11H22O4Si/c1-4-6-9(16(3)15-5-2)7-8-10(12)11(13)14/h9,16H,4-8H2,1-3H3,(H,13,14)
InChIKeyZMMMSJCWNIAOMV-UHFFFAOYSA-N
XLogP1.98
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid?
The IUPAC name of 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid (CID 173265343) is 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid.
What is the SMILES notation for 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid?
The canonical SMILES for 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid is CCCC(CCC(=O)C(=O)O)[SiH](C)OCC.
What is the InChIKey of 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid?
The InChIKey is ZMMMSJCWNIAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-4-6-9(16(3)15-5-2)7-8-10(12)11(13)14/h9,16H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid?
5-[ethoxy(methyl)silyl]-2-oxooctanoic acid has a molecular weight of 246.38 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethoxy(methyl)silyl]-2-oxooctanoic acid is sourced from PubChem (CID 173265343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).