[2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate

C27H40O6Si2 — CID 173267240

IUPAC[2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate
SMILESCCC(C)(CC)C(OOC(=O)c1ccc([Si](C)(C)C)cc1)OOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C27H40O6Si2/c1-10-27(3,11-2)26(32-30-24(28)20-12-16-22(17-13-20)34(4,5)6)33-31-25(29)21-14-18-23(19-15-21)35(7,8)9/h12-19,26H,10-11H2,1-9H3
InChIKeyWVVDEBAYAVIZSF-UHFFFAOYSA-N
MW516.78 g/mol
LogP5.81
Rot. Bonds11

About [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate

[2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate (PubChem CID 173267240) has the molecular formula C27H40O6Si2 and a molecular weight of 516.78 g/mol. Its IUPAC name is [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate.

Molecular Properties

Compound Name[2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate
PubChem CID173267240
Molecular FormulaC27H40O6Si2
Molecular Weight516.78 g/mol
Exact Mass516.24
IUPAC Name[2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate
SMILESCCC(C)(CC)C(OOC(=O)c1ccc([Si](C)(C)C)cc1)OOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C27H40O6Si2/c1-10-27(3,11-2)26(32-30-24(28)20-12-16-22(17-13-20)34(4,5)6)33-31-25(29)21-14-18-23(19-15-21)35(7,8)9/h12-19,26H,10-11H2,1-9H3
InChIKeyWVVDEBAYAVIZSF-UHFFFAOYSA-N
XLogP5.81
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.78
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266501
[1-(4-ethylbenzoyl)peroxy-2,2-dimethylpropyl] 4-ethylbenzenecarboperoxoate
CID 173266680
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
CID 173266423
propan-2-yl 4-ethylbenzenecarboperoxoate
CID 173268012
1-(4-methylbenzoyl)peroxypropyl 4-methylbenzenecarboperoxoate
CID 173266637
1-[(2-methylpropan-2-yl)oxy]propan-2-yl 4-ethylbenzenecarboperoxoate
CID 173268003
2-(4-trimethylsilylphenyl)propan-2-yl 2,2-dimethylbutanoate
CID 177286394
tert-butyl 2-(4-trimethylsilylphenyl)prop-2-enoate
CID 164510966
methyl 4-[4-(4-methoxycarbonylphenyl)-3,4-dimethylhexan-3-yl]benzoate
CID 139675985

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate?
The IUPAC name of [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate (CID 173267240) is [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate.
What is the SMILES notation for [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate?
The canonical SMILES for [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate is CCC(C)(CC)C(OOC(=O)c1ccc([Si](C)(C)C)cc1)OOC(=O)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate?
The InChIKey is WVVDEBAYAVIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O6Si2/c1-10-27(3,11-2)26(32-30-24(28)20-12-16-22(17-13-20)34(4,5)6)33-31-25(29)21-14-18-23(19-15-21)35(7,8)9/h12-19,26H,10-11H2,1-9H3.
What are the key properties of [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate?
[2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate has a molecular weight of 516.78 g/mol, XLogP of 5.81, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate is sourced from PubChem (CID 173267240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).