methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate

C13H26O5Si — CID 174975207

IUPACmethyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate
SMILESCOC(=O)CC(C(C)C(=O)OO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-9(12(15)17-18-19(6)7)10(13(2,3)4)8-11(14)16-5/h9-10,19H,8H2,1-7H3
InChIKeyDMAGBRYJGDJPDI-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.31
Rot. Bonds6

About methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate

methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate (PubChem CID 174975207) has the molecular formula C13H26O5Si and a molecular weight of 290.43 g/mol. Its IUPAC name is methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate
PubChem CID174975207
Molecular FormulaC13H26O5Si
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namemethyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate
SMILESCOC(=O)CC(C(C)C(=O)OO[SiH](C)C)C(C)(C)C
InChIInChI=1S/C13H26O5Si/c1-9(12(15)17-18-19(6)7)10(13(2,3)4)8-11(14)16-5/h9-10,19H,8H2,1-7H3
InChIKeyDMAGBRYJGDJPDI-UHFFFAOYSA-N
XLogP2.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate?
The IUPAC name of methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate (CID 174975207) is methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate.
What is the SMILES notation for methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate?
The canonical SMILES for methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate is COC(=O)CC(C(C)C(=O)OO[SiH](C)C)C(C)(C)C.
What is the InChIKey of methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate?
The InChIKey is DMAGBRYJGDJPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5Si/c1-9(12(15)17-18-19(6)7)10(13(2,3)4)8-11(14)16-5/h9-10,19H,8H2,1-7H3.
What are the key properties of methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate?
methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate has a molecular weight of 290.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-tert-butyl-5-dimethylsilylperoxy-4-methyl-5-oxopentanoate is sourced from PubChem (CID 174975207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).