6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid

C12H24O6Si — CID 87908782

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(=O)CC(O)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-12(2,3)19(4,5)18-7-10(15)8(13)6-9(14)11(16)17/h9-10,14-15H,6-7H2,1-5H3,(H,16,17)
InChIKeyPLMBWDVOSKRLJJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.77
Rot. Bonds7

About 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid

6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid (PubChem CID 87908782) has the molecular formula C12H24O6Si and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid
PubChem CID87908782
Molecular FormulaC12H24O6Si
Molecular Weight292.40 g/mol
Exact Mass292.13
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(O)C(=O)CC(O)C(=O)O
InChIInChI=1S/C12H24O6Si/c1-12(2,3)19(4,5)18-7-10(15)8(13)6-9(14)11(16)17/h9-10,14-15H,6-7H2,1-5H3,(H,16,17)
InChIKeyPLMBWDVOSKRLJJ-UHFFFAOYSA-N
XLogP0.77
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid (CID 87908782) is 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid is CC(C)(C)[Si](C)(C)OCC(O)C(=O)CC(O)C(=O)O.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid?
The InChIKey is PLMBWDVOSKRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O6Si/c1-12(2,3)19(4,5)18-7-10(15)8(13)6-9(14)11(16)17/h9-10,14-15H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid?
6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid has a molecular weight of 292.40 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-2,5-dihydroxy-4-oxohexanoic acid is sourced from PubChem (CID 87908782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).