[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate

C26H34O4 — CID 141216683

IUPAC[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
SMILESCC(C)c1cccc(C(C)C)c1C(=O)OOC(=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H34O4/c1-15(2)19-11-9-12-20(16(3)4)23(19)25(27)29-30-26(28)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3
InChIKeyKUTPTCJCINZRAA-UHFFFAOYSA-N
MW410.55 g/mol
LogP7.11
Rot. Bonds6

About [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate

[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate (PubChem CID 141216683) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
PubChem CID141216683
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
SMILESCC(C)c1cccc(C(C)C)c1C(=O)OOC(=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H34O4/c1-15(2)19-11-9-12-20(16(3)4)23(19)25(27)29-30-26(28)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3
InChIKeyKUTPTCJCINZRAA-UHFFFAOYSA-N
XLogP7.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

phenyl 2,6-di(propan-2-yl)benzoate
CID 175162380
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
methyl 2-(1-cyclopropylethyl)-6-propan-2-ylbenzoate
CID 175048002
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
1-(2-chloro-6-propan-2-ylphenyl)ethanone
CID 157111113
2,6-di(propan-2-yl)-N-trimethylsilylbenzamide
CID 22743375
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
dibutyl 3-propan-2-ylbenzene-1,2-dicarboxylate
CID 19817771
2-cyano-6-propan-2-ylbenzoic acid
CID 131220096
ethyl 2,6-di(butan-2-yl)benzoate
CID 166060027
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate?
The IUPAC name of [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate (CID 141216683) is [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate.
What is the SMILES notation for [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate?
The canonical SMILES for [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate is CC(C)c1cccc(C(C)C)c1C(=O)OOC(=O)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate?
The InChIKey is KUTPTCJCINZRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O4/c1-15(2)19-11-9-12-20(16(3)4)23(19)25(27)29-30-26(28)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3.
What are the key properties of [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate?
[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate has a molecular weight of 410.55 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate is sourced from PubChem (CID 141216683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).