3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid

C12H24O4Si — CID 15000779

IUPAC3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,8-10(13)14)9-11(15)16-6-7-17(3,4)5/h6-9H2,1-5H3,(H,13,14)
InChIKeyPJUXJJYOTBXYHV-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.76
Rot. Bonds7

About 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid

3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid (PubChem CID 15000779) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
PubChem CID15000779
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)OCC[Si](C)(C)C
InChIInChI=1S/C12H24O4Si/c1-12(2,8-10(13)14)9-11(15)16-6-7-17(3,4)5/h6-9H2,1-5H3,(H,13,14)
InChIKeyPJUXJJYOTBXYHV-UHFFFAOYSA-N
XLogP2.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid (CID 15000779) is 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid is CC(C)(CC(=O)O)CC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
The InChIKey is PJUXJJYOTBXYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-12(2,8-10(13)14)9-11(15)16-6-7-17(3,4)5/h6-9H2,1-5H3,(H,13,14).
What are the key properties of 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid?
3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid has a molecular weight of 260.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid is sourced from PubChem (CID 15000779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).