2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

C72H88O8 — CID 174400461

IUPAC2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/4C18H22O2/c4*1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h4*5-14H,1-4H3
InChIKeyNDXTZAPULOMNGX-UHFFFAOYSA-N
MW1081.49 g/mol
LogP19.22
Rot. Bonds20

About 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (PubChem CID 174400461) has the molecular formula C72H88O8 and a molecular weight of 1081.49 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Name2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
PubChem CID174400461
Molecular FormulaC72H88O8
Molecular Weight1081.49 g/mol
Exact Mass1080.65
IUPAC Name2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/4C18H22O2/c4*1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h4*5-14H,1-4H3
InChIKeyNDXTZAPULOMNGX-UHFFFAOYSA-N
XLogP19.22
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.49
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
cyclohexane;ethene;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174748033
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
2-ethylperoxypropan-2-ylbenzene
CID 14923166
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
diphenyl(2-phenylpropan-2-ylperoxy)silane
CID 173375091
zinc;bis(2-methylprop-2-enoate);2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175350674
2,2-bis(2-phenylpropan-2-ylperoxy)-1,3-dihydroindene
CID 163671526
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The IUPAC name of 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (CID 174400461) is 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The InChIKey is NDXTZAPULOMNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H22O2/c4*1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16/h4*5-14H,1-4H3.
What are the key properties of 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene has a molecular weight of 1081.49 g/mol, XLogP of 19.22, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 174400461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).