3-(ethoxymethylsilyl)-2-oxooctanoic acid

C11H22O4Si — CID 173256468

IUPAC3-(ethoxymethylsilyl)-2-oxooctanoic acid
SMILESCCCCCC([SiH2]COCC)C(=O)C(=O)O
InChIInChI=1S/C11H22O4Si/c1-3-5-6-7-9(10(12)11(13)14)16-8-15-4-2/h9H,3-8,16H2,1-2H3,(H,13,14)
InChIKeyKTICUSFIOIIWPH-UHFFFAOYSA-N
MW246.38 g/mol
LogP1.17
Rot. Bonds10

About 3-(ethoxymethylsilyl)-2-oxooctanoic acid

3-(ethoxymethylsilyl)-2-oxooctanoic acid (PubChem CID 173256468) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(ethoxymethylsilyl)-2-oxooctanoic acid.

Molecular Properties

Compound Name3-(ethoxymethylsilyl)-2-oxooctanoic acid
PubChem CID173256468
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name3-(ethoxymethylsilyl)-2-oxooctanoic acid
SMILESCCCCCC([SiH2]COCC)C(=O)C(=O)O
InChIInChI=1S/C11H22O4Si/c1-3-5-6-7-9(10(12)11(13)14)16-8-15-4-2/h9H,3-8,16H2,1-2H3,(H,13,14)
InChIKeyKTICUSFIOIIWPH-UHFFFAOYSA-N
XLogP1.17
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 3-(ethoxymethylsilyl)-2-oxooctanoic acid?
The IUPAC name of 3-(ethoxymethylsilyl)-2-oxooctanoic acid (CID 173256468) is 3-(ethoxymethylsilyl)-2-oxooctanoic acid.
What is the SMILES notation for 3-(ethoxymethylsilyl)-2-oxooctanoic acid?
The canonical SMILES for 3-(ethoxymethylsilyl)-2-oxooctanoic acid is CCCCCC([SiH2]COCC)C(=O)C(=O)O.
What is the InChIKey of 3-(ethoxymethylsilyl)-2-oxooctanoic acid?
The InChIKey is KTICUSFIOIIWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-3-5-6-7-9(10(12)11(13)14)16-8-15-4-2/h9H,3-8,16H2,1-2H3,(H,13,14).
What are the key properties of 3-(ethoxymethylsilyl)-2-oxooctanoic acid?
3-(ethoxymethylsilyl)-2-oxooctanoic acid has a molecular weight of 246.38 g/mol, XLogP of 1.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethylsilyl)-2-oxooctanoic acid is sourced from PubChem (CID 173256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).