1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene

C24H34O4 — CID 141059308

IUPAC1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(OOOOc2cccc(C(C)C)c2C(C)C)c1C(C)C
InChIInChI=1S/C24H34O4/c1-15(2)19-11-9-13-21(23(19)17(5)6)25-27-28-26-22-14-10-12-20(16(3)4)24(22)18(7)8/h9-18H,1-8H3
InChIKeyAOPYHHXGYLKFMH-UHFFFAOYSA-N
MW386.53 g/mol
LogP7.42
Rot. Bonds9

About 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene

1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene (PubChem CID 141059308) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
PubChem CID141059308
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(OOOOc2cccc(C(C)C)c2C(C)C)c1C(C)C
InChIInChI=1S/C24H34O4/c1-15(2)19-11-9-13-21(23(19)17(5)6)25-27-28-26-22-14-10-12-20(16(3)4)24(22)18(7)8/h9-18H,1-8H3
InChIKeyAOPYHHXGYLKFMH-UHFFFAOYSA-N
XLogP7.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene?
The IUPAC name of 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene (CID 141059308) is 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene?
The canonical SMILES for 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene is CC(C)c1cccc(OOOOc2cccc(C(C)C)c2C(C)C)c1C(C)C.
What is the InChIKey of 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene?
The InChIKey is AOPYHHXGYLKFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-15(2)19-11-9-13-21(23(19)17(5)6)25-27-28-26-22-14-10-12-20(16(3)4)24(22)18(7)8/h9-18H,1-8H3.
What are the key properties of 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene?
1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene has a molecular weight of 386.53 g/mol, XLogP of 7.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene is sourced from PubChem (CID 141059308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).