2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene

C21H28O4 — CID 169006233

IUPAC2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene
SMILESCC(Cc1ccccc1)OOC(C)(C)OOC(C)Cc1ccccc1
InChIInChI=1S/C21H28O4/c1-17(15-19-11-7-5-8-12-19)22-24-21(3,4)25-23-18(2)16-20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3
InChIKeyREEAMBILMPWCSB-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.88
Rot. Bonds10

About 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene

2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene (PubChem CID 169006233) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene.

Molecular Properties

Compound Name2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene
PubChem CID169006233
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene
SMILESCC(Cc1ccccc1)OOC(C)(C)OOC(C)Cc1ccccc1
InChIInChI=1S/C21H28O4/c1-17(15-19-11-7-5-8-12-19)22-24-21(3,4)25-23-18(2)16-20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3
InChIKeyREEAMBILMPWCSB-UHFFFAOYSA-N
XLogP4.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1,4-bis[(2R)-2-tert-butylperoxypropyl]benzene
CID 134284311
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
2-phenyl-1-(1-phenylpropan-2-yloxy)propan-2-ol
CID 67382362
benzyl(trimethyl)phosphanium;hydrobromide
CID 154945301
ethane;2-methylpropylbenzene
CID 162200929
benzyl(trimethyl)phosphanium;hydrochloride
CID 154945285
1-phenyl-N-(2-phenylpropan-2-yl)propan-2-amine
CID 22460109
2-(methoxymethoxy)propylbenzene
CID 11367357
diphenyl(1-phenylpropan-2-yloxy)phosphane
CID 86075511
[(2S)-4,4-dimethyl-1-phenylpentan-2-yl]azanium
CID 140963970
2,4,4-trimethyl-N-(1-phenylpropan-2-yl)pentan-2-amine
CID 114989797
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene?
The IUPAC name of 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene (CID 169006233) is 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene.
What is the SMILES notation for 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene?
The canonical SMILES for 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene is CC(Cc1ccccc1)OOC(C)(C)OOC(C)Cc1ccccc1.
What is the InChIKey of 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene?
The InChIKey is REEAMBILMPWCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-17(15-19-11-7-5-8-12-19)22-24-21(3,4)25-23-18(2)16-20-13-9-6-10-14-20/h5-14,17-18H,15-16H2,1-4H3.
What are the key properties of 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene?
2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene has a molecular weight of 344.45 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylpropan-2-ylperoxy)propan-2-ylperoxy]propylbenzene is sourced from PubChem (CID 169006233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).