3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid

C13H26O5Si — CID 4643315

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-7-17-12(16)9-10(8-11(14)15)18-19(5,6)13(2,3)4/h10H,7-9H2,1-6H3,(H,14,15)
InChIKeyDUMCZOGDSYDSBG-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.80
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid (PubChem CID 4643315) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
PubChem CID4643315
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
SMILESCCOC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-7-17-12(16)9-10(8-11(14)15)18-19(5,6)13(2,3)4/h10H,7-9H2,1-6H3,(H,14,15)
InChIKeyDUMCZOGDSYDSBG-UHFFFAOYSA-N
XLogP2.80
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid (CID 4643315) is 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid is CCOC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid?
The InChIKey is DUMCZOGDSYDSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-7-17-12(16)9-10(8-11(14)15)18-19(5,6)13(2,3)4/h10H,7-9H2,1-6H3,(H,14,15).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid has a molecular weight of 290.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid is sourced from PubChem (CID 4643315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).