[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone

C26H35O11P — CID 141389570

IUPAC[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone
SMILESCOOc1cccc(OOC)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(OOC)cccc1OOC
InChIInChI=1S/C26H35O11P/c1-17(15-26(2,3)4)16-38(29,24(27)22-18(34-30-5)11-9-12-19(22)35-31-6)25(28)23-20(36-32-7)13-10-14-21(23)37-33-8/h9-14,17H,15-16H2,1-8H3
InChIKeyAPEJUTHGKGGPGE-UHFFFAOYSA-N
MW554.53 g/mol
LogP5.86
Rot. Bonds15

About [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone

[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone (PubChem CID 141389570) has the molecular formula C26H35O11P and a molecular weight of 554.53 g/mol. Its IUPAC name is [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone.

Molecular Properties

Compound Name[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone
PubChem CID141389570
Molecular FormulaC26H35O11P
Molecular Weight554.53 g/mol
Exact Mass554.19
IUPAC Name[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone
SMILESCOOc1cccc(OOC)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(OOC)cccc1OOC
InChIInChI=1S/C26H35O11P/c1-17(15-26(2,3)4)16-38(29,24(27)22-18(34-30-5)11-9-12-19(22)35-31-6)25(28)23-20(36-32-7)13-10-14-21(23)37-33-8/h9-14,17H,15-16H2,1-8H3
InChIKeyAPEJUTHGKGGPGE-UHFFFAOYSA-N
XLogP5.86
TPSA125.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500554.53
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone?
The IUPAC name of [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone (CID 141389570) is [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone.
What is the SMILES notation for [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone?
The canonical SMILES for [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone is COOc1cccc(OOC)c1C(=O)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(OOC)cccc1OOC.
What is the InChIKey of [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone?
The InChIKey is APEJUTHGKGGPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35O11P/c1-17(15-26(2,3)4)16-38(29,24(27)22-18(34-30-5)11-9-12-19(22)35-31-6)25(28)23-20(36-32-7)13-10-14-21(23)37-33-8/h9-14,17H,15-16H2,1-8H3.
What are the key properties of [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone?
[[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone has a molecular weight of 554.53 g/mol, XLogP of 5.86, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [[2,6-bis(methylperoxy)benzoyl]-(2,4,4-trimethylpentyl)phosphoryl]-[2,6-bis(methylperoxy)phenyl]methanone is sourced from PubChem (CID 141389570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).