[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate

C22H24O6 — CID 173265290

IUPAC[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate
SMILESCc1ccccc1C(=O)OOC1CCCCC1OOC(=O)c1ccccc1C
InChIInChI=1S/C22H24O6/c1-15-9-3-5-11-17(15)21(23)27-25-19-13-7-8-14-20(19)26-28-22(24)18-12-6-4-10-16(18)2/h3-6,9-12,19-20H,7-8,13-14H2,1-2H3
InChIKeyUYGAZKLLYLSLMR-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.49
Rot. Bonds6

About [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate

[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate (PubChem CID 173265290) has the molecular formula C22H24O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate.

Molecular Properties

Compound Name[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate
PubChem CID173265290
Molecular FormulaC22H24O6
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate
SMILESCc1ccccc1C(=O)OOC1CCCCC1OOC(=O)c1ccccc1C
InChIInChI=1S/C22H24O6/c1-15-9-3-5-11-17(15)21(23)27-25-19-13-7-8-14-20(19)26-28-22(24)18-12-6-4-10-16(18)2/h3-6,9-12,19-20H,7-8,13-14H2,1-2H3
InChIKeyUYGAZKLLYLSLMR-UHFFFAOYSA-N
XLogP4.49
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-methylcyclohexyl) 2-methoxybenzenecarboperoxoate
CID 173266386
cyclopentyl 2,6-dimethylbenzenecarboperoxoate
CID 173265603
[10-(2-methylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undecanyl] 2-methylbenzoate
CID 166987407
bis[(2-methylbenzoyl)peroxy]phosphoryl 2-methylbenzenecarboperoxoate
CID 87127144
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
cyclohexyl 2-methoxybenzenecarboperoxoate
CID 173268005
[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate
CID 173266514
bromo 2-methylbenzoate
CID 67185739
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
2,2-dimethylpropyl 2-methylbenzenecarboperoxoate
CID 173265611
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate?
The IUPAC name of [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate (CID 173265290) is [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate.
What is the SMILES notation for [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate?
The canonical SMILES for [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate is Cc1ccccc1C(=O)OOC1CCCCC1OOC(=O)c1ccccc1C.
What is the InChIKey of [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate?
The InChIKey is UYGAZKLLYLSLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O6/c1-15-9-3-5-11-17(15)21(23)27-25-19-13-7-8-14-20(19)26-28-22(24)18-12-6-4-10-16(18)2/h3-6,9-12,19-20H,7-8,13-14H2,1-2H3.
What are the key properties of [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate?
[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate has a molecular weight of 384.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate is sourced from PubChem (CID 173265290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).