1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate

C26H38O6Si2 — CID 173266501

IUPAC1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate
SMILESCCCCCC(OOC(=O)c1ccc([Si](C)(C)C)cc1)OOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C26H38O6Si2/c1-8-9-10-11-24(29-31-25(27)20-12-16-22(17-13-20)33(2,3)4)30-32-26(28)21-14-18-23(19-15-21)34(5,6)7/h12-19,24H,8-11H2,1-7H3
InChIKeyAIMPTCCWCJCRQK-UHFFFAOYSA-N
MW502.76 g/mol
LogP5.56
Rot. Bonds12

About 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate

1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate (PubChem CID 173266501) has the molecular formula C26H38O6Si2 and a molecular weight of 502.76 g/mol. Its IUPAC name is 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate.

Molecular Properties

Compound Name1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate
PubChem CID173266501
Molecular FormulaC26H38O6Si2
Molecular Weight502.76 g/mol
Exact Mass502.22
IUPAC Name1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate
SMILESCCCCCC(OOC(=O)c1ccc([Si](C)(C)C)cc1)OOC(=O)c1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C26H38O6Si2/c1-8-9-10-11-24(29-31-25(27)20-12-16-22(17-13-20)33(2,3)4)30-32-26(28)21-14-18-23(19-15-21)34(5,6)7/h12-19,24H,8-11H2,1-7H3
InChIKeyAIMPTCCWCJCRQK-UHFFFAOYSA-N
XLogP5.56
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.76
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylbenzoyl)peroxyhexadecyl 4-methylbenzenecarboperoxoate
CID 173265367
1-(4-ethylbenzoyl)peroxyoctyl 4-ethylbenzenecarboperoxoate
CID 173267169
1-(4-pentylbenzoyl)peroxyhexyl 4-pentylbenzenecarboperoxoate
CID 173265747
1-(4-ethylbenzoyl)peroxypentyl 4-ethylbenzenecarboperoxoate
CID 173266370
1-(4-methoxybenzoyl)peroxypentyl 4-methoxybenzenecarboperoxoate
CID 173266577
heptyl 4-trimethylsilylbenzenecarboperoxoate
CID 173265584
butyl 4-trimethylsilylbenzenecarboperoxoate
CID 173266765
1-[1-(4-ethylbenzoyl)peroxyhexadecoxycarbonyloxy]hexadecyl 4-ethylbenzenecarboperoxoate
CID 139901176
1-[1-(4-methoxybenzoyl)peroxyhexadecoxycarbonyloxy]hexadecyl 4-methoxybenzenecarboperoxoate
CID 139901170
1-(3,4-dimethoxybenzoyl)peroxydecyl 3,4-dimethoxybenzenecarboperoxoate
CID 173267245
1-[1-(4-pentylbenzoyl)peroxyhexadecoxycarbonyloxy]hexadecyl 4-pentylbenzenecarboperoxoate
CID 139901080
[2-ethyl-2-methyl-1-(4-trimethylsilylbenzoyl)peroxybutyl] 4-trimethylsilylbenzenecarboperoxoate
CID 173267240

Frequently Asked Questions

What is the IUPAC name of 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate?
The IUPAC name of 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate (CID 173266501) is 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate.
What is the SMILES notation for 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate?
The canonical SMILES for 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate is CCCCCC(OOC(=O)c1ccc([Si](C)(C)C)cc1)OOC(=O)c1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate?
The InChIKey is AIMPTCCWCJCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O6Si2/c1-8-9-10-11-24(29-31-25(27)20-12-16-22(17-13-20)33(2,3)4)30-32-26(28)21-14-18-23(19-15-21)34(5,6)7/h12-19,24H,8-11H2,1-7H3.
What are the key properties of 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate?
1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate has a molecular weight of 502.76 g/mol, XLogP of 5.56, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-trimethylsilylbenzoyl)peroxyhexyl 4-trimethylsilylbenzenecarboperoxoate is sourced from PubChem (CID 173266501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).