[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate

C28H36O6 — CID 173266514

IUPAC[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate
SMILESCC(C)(C)c1ccc(C(=O)OOC2CCCCC2OOC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H36O6/c1-27(2,3)21-15-11-19(12-16-21)25(29)33-31-23-9-7-8-10-24(23)32-34-26(30)20-13-17-22(18-14-20)28(4,5)6/h11-18,23-24H,7-10H2,1-6H3
InChIKeyHVAZSHBEDVIBBP-UHFFFAOYSA-N
MW468.59 g/mol
LogP6.47
Rot. Bonds6

About [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate

[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate (PubChem CID 173266514) has the molecular formula C28H36O6 and a molecular weight of 468.59 g/mol. Its IUPAC name is [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate.

Molecular Properties

Compound Name[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate
PubChem CID173266514
Molecular FormulaC28H36O6
Molecular Weight468.59 g/mol
Exact Mass468.25
IUPAC Name[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate
SMILESCC(C)(C)c1ccc(C(=O)OOC2CCCCC2OOC(=O)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C28H36O6/c1-27(2,3)21-15-11-19(12-16-21)25(29)33-31-23-9-7-8-10-24(23)32-34-26(30)20-13-17-22(18-14-20)28(4,5)6/h11-18,23-24H,7-10H2,1-6H3
InChIKeyHVAZSHBEDVIBBP-UHFFFAOYSA-N
XLogP6.47
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.59
LogP ≤ 56.47
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

cyclohexyl 4-tert-butylbenzenecarboperoxoate
CID 173267759
(2,5-dimethylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173265879
(4-methylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173266059
(2-tert-butylcyclohexyl) 4-[ethenyl(dimethyl)silyl]benzenecarboperoxoate
CID 173267973
phosphono 4-tert-butylbenzenecarboperoxoate
CID 162716702
(3,3,5-trimethylcyclohexyl) 4-tert-butylbenzenecarboperoxoate
CID 173265224
[2-(4-tert-butylbenzoyl)peroxy-2,5-dimethylcyclohexyl] 4-tert-butylbenzenecarboperoxoate
CID 173265570
(4-tert-butylphenyl) 4-tert-butylbenzoate;ethane
CID 157202631
(2-methylcyclohexyl) 4-[bis(ethenyl)-methylsilyl]benzenecarboperoxoate
CID 173265914
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
2-(4-tert-butylphenyl)-N-cyclopentyl-2-oxoacetamide
CID 47418183
[2-(2-methylbenzoyl)peroxycyclohexyl] 2-methylbenzenecarboperoxoate
CID 173265290

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate?
The IUPAC name of [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate (CID 173266514) is [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate.
What is the SMILES notation for [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate?
The canonical SMILES for [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate is CC(C)(C)c1ccc(C(=O)OOC2CCCCC2OOC(=O)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate?
The InChIKey is HVAZSHBEDVIBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36O6/c1-27(2,3)21-15-11-19(12-16-21)25(29)33-31-23-9-7-8-10-24(23)32-34-26(30)20-13-17-22(18-14-20)28(4,5)6/h11-18,23-24H,7-10H2,1-6H3.
What are the key properties of [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate?
[2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate has a molecular weight of 468.59 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylbenzoyl)peroxycyclohexyl] 4-tert-butylbenzenecarboperoxoate is sourced from PubChem (CID 173266514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).