4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid

C12H24O6Si — CID 23058266

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(O)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-10(2,3)19(6,7)18-12(5,17)8(13)11(4,16)9(14)15/h16-17H,1-7H3,(H,14,15)
InChIKeyVJAOQQDPDNVZJY-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.12
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid (PubChem CID 23058266) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid
PubChem CID23058266
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid
SMILESCC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(O)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-10(2,3)19(6,7)18-12(5,17)8(13)11(4,16)9(14)15/h16-17H,1-7H3,(H,14,15)
InChIKeyVJAOQQDPDNVZJY-UHFFFAOYSA-N
XLogP1.12
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid (CID 23058266) is 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid is CC(O)(O[Si](C)(C)C(C)(C)C)C(=O)C(C)(O)C(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid?
The InChIKey is VJAOQQDPDNVZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6Si/c1-10(2,3)19(6,7)18-12(5,17)8(13)11(4,16)9(14)15/h16-17H,1-7H3,(H,14,15).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid is sourced from PubChem (CID 23058266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).