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

C12H24O6Si — CID 131738282

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid
SMILESCC(O)C(=O)C(O)(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-8(13)9(14)12(17,10(15)16)7-18-19(5,6)11(2,3)4/h8,13,17H,7H2,1-6H3,(H,15,16)
InChIKeyVMXQXCLQDZMXFB-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.77
Rot. Bonds6

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

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid (PubChem CID 131738282) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid
PubChem CID131738282
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid
SMILESCC(O)C(=O)C(O)(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-8(13)9(14)12(17,10(15)16)7-18-19(5,6)11(2,3)4/h8,13,17H,7H2,1-6H3,(H,15,16)
InChIKeyVMXQXCLQDZMXFB-UHFFFAOYSA-N
XLogP0.77
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.77
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid (CID 131738282) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid is CC(O)C(=O)C(O)(CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid?
The InChIKey is VMXQXCLQDZMXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6Si/c1-8(13)9(14)12(17,10(15)16)7-18-19(5,6)11(2,3)4/h8,13,17H,7H2,1-6H3,(H,15,16).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid has a molecular weight of 292.40 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dihydroxy-3-oxopentanoic acid is sourced from PubChem (CID 131738282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).