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

C12H24O5Si — CID 10934717

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-9(7-10(13)14)8-11(15)16-4/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyCTZDWHZODOCMCT-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.41
Rot. Bonds6

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

3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid (PubChem CID 10934717) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
PubChem CID10934717
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-9(7-10(13)14)8-11(15)16-4/h9H,7-8H2,1-6H3,(H,13,14)
InChIKeyCTZDWHZODOCMCT-UHFFFAOYSA-N
XLogP2.41
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.41
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-methoxy-5-oxopentanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid (CID 10934717) is 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid is COC(=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-methoxy-5-oxopentanoic acid?
The InChIKey is CTZDWHZODOCMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-12(2,3)18(5,6)17-9(7-10(13)14)8-11(15)16-4/h9H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-5-oxopentanoic acid has a molecular weight of 276.40 g/mol, XLogP of 2.41, 6 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-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 10934717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).