[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate

C28H40O6Si2 — CID 173266153

IUPAC[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate
SMILESCC1CCC(C)(OOC(=O)c2ccc([Si](C)(C)C)cc2)C(OOC(=O)c2ccc([Si](C)(C)C)cc2)C1
InChIInChI=1S/C28H40O6Si2/c1-20-17-18-28(2,34-33-27(30)22-11-15-24(16-12-22)36(6,7)8)25(19-20)31-32-26(29)21-9-13-23(14-10-21)35(3,4)5/h9-16,20,25H,17-19H2,1-8H3
InChIKeyMMKNXCSEHXHBNT-UHFFFAOYSA-N
MW528.79 g/mol
LogP5.60
Rot. Bonds8

About [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate

[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate (PubChem CID 173266153) has the molecular formula C28H40O6Si2 and a molecular weight of 528.79 g/mol. Its IUPAC name is [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate.

Molecular Properties

Compound Name[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate
PubChem CID173266153
Molecular FormulaC28H40O6Si2
Molecular Weight528.79 g/mol
Exact Mass528.24
IUPAC Name[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate
SMILESCC1CCC(C)(OOC(=O)c2ccc([Si](C)(C)C)cc2)C(OOC(=O)c2ccc([Si](C)(C)C)cc2)C1
InChIInChI=1S/C28H40O6Si2/c1-20-17-18-28(2,34-33-27(30)22-11-15-24(16-12-22)36(6,7)8)25(19-20)31-32-26(29)21-9-13-23(14-10-21)35(3,4)5/h9-16,20,25H,17-19H2,1-8H3
InChIKeyMMKNXCSEHXHBNT-UHFFFAOYSA-N
XLogP5.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.79
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate?
The IUPAC name of [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate (CID 173266153) is [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate.
What is the SMILES notation for [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate?
The canonical SMILES for [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate is CC1CCC(C)(OOC(=O)c2ccc([Si](C)(C)C)cc2)C(OOC(=O)c2ccc([Si](C)(C)C)cc2)C1.
What is the InChIKey of [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate?
The InChIKey is MMKNXCSEHXHBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O6Si2/c1-20-17-18-28(2,34-33-27(30)22-11-15-24(16-12-22)36(6,7)8)25(19-20)31-32-26(29)21-9-13-23(14-10-21)35(3,4)5/h9-16,20,25H,17-19H2,1-8H3.
What are the key properties of [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate?
[2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate has a molecular weight of 528.79 g/mol, XLogP of 5.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-2-(4-trimethylsilylbenzoyl)peroxycyclohexyl] 4-trimethylsilylbenzenecarboperoxoate is sourced from PubChem (CID 173266153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).