[2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate

C24H30O6 — CID 173265903

IUPAC[2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate
SMILESCCCc1ccc(C(=O)OOC(OOC(=O)c2ccc(CCC)cc2)C(C)C)cc1
InChIInChI=1S/C24H30O6/c1-5-7-18-9-13-20(14-10-18)22(25)27-29-24(17(3)4)30-28-23(26)21-15-11-19(8-6-2)12-16-21/h9-17,24H,5-8H2,1-4H3
InChIKeyGXZVPMNFVYJUIA-UHFFFAOYSA-N
MW414.50 g/mol
LogP5.45
Rot. Bonds11

About [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate

[2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate (PubChem CID 173265903) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate.

Molecular Properties

Compound Name[2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate
PubChem CID173265903
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name[2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate
SMILESCCCc1ccc(C(=O)OOC(OOC(=O)c2ccc(CCC)cc2)C(C)C)cc1
InChIInChI=1S/C24H30O6/c1-5-7-18-9-13-20(14-10-18)22(25)27-29-24(17(3)4)30-28-23(26)21-15-11-19(8-6-2)12-16-21/h9-17,24H,5-8H2,1-4H3
InChIKeyGXZVPMNFVYJUIA-UHFFFAOYSA-N
XLogP5.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-propoxy-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate
CID 173267585
propan-2-yl 4-ethylbenzenecarboperoxoate
CID 173268012
4-(4-propylbenzoyl)oxypentan-2-yl 4-propylbenzoate
CID 66727816
[3-methyl-4-(4-propylbenzoyl)oxypentan-2-yl] 4-propylbenzoate
CID 66727918
bis(4-propylbenzoyl) 2,4-dimethylpentanedioate
CID 172743150
1-(4-pentylbenzoyl)peroxyhexyl 4-pentylbenzenecarboperoxoate
CID 173265747
[1-(4-ethylbenzoyl)peroxy-2,2-dimethylpropyl] 4-ethylbenzenecarboperoxoate
CID 173266680
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
1-[1-(4-ethylbenzoyl)peroxyethoxycarbonyloxy]ethyl 4-ethylbenzenecarboperoxoate
CID 139901182
(4-propylphenyl) 4-bromobenzoate
CID 19184745

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate?
The IUPAC name of [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate (CID 173265903) is [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate.
What is the SMILES notation for [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate?
The canonical SMILES for [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate is CCCc1ccc(C(=O)OOC(OOC(=O)c2ccc(CCC)cc2)C(C)C)cc1.
What is the InChIKey of [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate?
The InChIKey is GXZVPMNFVYJUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c1-5-7-18-9-13-20(14-10-18)22(25)27-29-24(17(3)4)30-28-23(26)21-15-11-19(8-6-2)12-16-21/h9-17,24H,5-8H2,1-4H3.
What are the key properties of [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate?
[2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate has a molecular weight of 414.50 g/mol, XLogP of 5.45, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(4-propylbenzoyl)peroxypropyl] 4-propylbenzenecarboperoxoate is sourced from PubChem (CID 173265903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).