[tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate

C12H24O5Si — CID 87980584

IUPAC[tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate
SMILESCC(O)C(=O)C(C)(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-8(13)9(14)12(5,16)10(15)17-18(6,7)11(2,3)4/h8,13,16H,1-7H3
InChIKeyAVQRXEQFMOSZFF-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.24
Rot. Bonds4

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

[tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate (PubChem CID 87980584) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate
PubChem CID87980584
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name[tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate
SMILESCC(O)C(=O)C(C)(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O5Si/c1-8(13)9(14)12(5,16)10(15)17-18(6,7)11(2,3)4/h8,13,16H,1-7H3
InChIKeyAVQRXEQFMOSZFF-UHFFFAOYSA-N
XLogP1.24
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
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 [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate (CID 87980584) is [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate is CC(O)C(=O)C(C)(O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate?
The InChIKey is AVQRXEQFMOSZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-8(13)9(14)12(5,16)10(15)17-18(6,7)11(2,3)4/h8,13,16H,1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate?
[tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate has a molecular weight of 276.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate is sourced from PubChem (CID 87980584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).