ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate

C14H28O6Si — CID 91155698

IUPACethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate
SMILESCCOC(=O)C(C)(O)C(=O)C(C)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O6Si/c1-9-18-12(16)14(6,17)11(15)10(2)19-20-21(7,8)13(3,4)5/h10,17H,9H2,1-8H3
InChIKeyBHLDDYBEXARWTA-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.21
Rot. Bonds7

About ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate

ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate (PubChem CID 91155698) has the molecular formula C14H28O6Si and a molecular weight of 320.46 g/mol. Its IUPAC name is ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate.

Molecular Properties

Compound Nameethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate
PubChem CID91155698
Molecular FormulaC14H28O6Si
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Nameethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate
SMILESCCOC(=O)C(C)(O)C(=O)C(C)OO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O6Si/c1-9-18-12(16)14(6,17)11(15)10(2)19-20-21(7,8)13(3,4)5/h10,17H,9H2,1-8H3
InChIKeyBHLDDYBEXARWTA-UHFFFAOYSA-N
XLogP2.21
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

Ethyl lactyllactate
CID 87238677
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpentanoate
CID 73042975
4-[Tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentanoic acid
CID 23058266
2-Hydroxypropanoyl 2,4-dihydroxy-2-methyl-3-oxopentanoate
CID 23504967
2-Hydroxyethyl 2,4-dihydroxy-2-methyl-3-oxopentanoate
CID 87238669
2-Hydroxypropyl 2,4-dihydroxy-2-methyl-3-oxopentanoate
CID 87398123
Ethyl 4-hydroxy-2-(2-hydroxypropanoyloxy)-2-methyl-3-oxopentanoate
CID 87764890
[Tert-butyl(dimethyl)silyl] 4-[tert-butyl(dimethyl)silyl]oxy-2,4-dihydroxy-2-methyl-3-oxopentaneperoxoate
CID 87908779
[Tert-butyl(dimethyl)silyl] 2,4-dihydroxy-2-methyl-3-oxopentanoate
CID 87980584
Butyl 2,4-dihydroxy-2-methyl-3-oxopentanoate
CID 89389341
2-Hydroxypropanoyl 2-ethoxy-4-hydroxy-2-methyl-3-oxopentanoate
CID 91479227
t-Butyldimethylsiloxylactoyl lactic acid
CID 131738282

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate?
The IUPAC name of ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate (CID 91155698) is ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate.
What is the SMILES notation for ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate?
The canonical SMILES for ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate is CCOC(=O)C(C)(O)C(=O)C(C)OO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate?
The InChIKey is BHLDDYBEXARWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6Si/c1-9-18-12(16)14(6,17)11(15)10(2)19-20-21(7,8)13(3,4)5/h10,17H,9H2,1-8H3.
What are the key properties of ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate?
ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate has a molecular weight of 320.46 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[tert-butyl(dimethyl)silyl]peroxy-2-hydroxy-2-methyl-3-oxopentanoate is sourced from PubChem (CID 91155698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).