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

C18H25NO2 — CID 159050538

IUPACazane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.N
InChIInChI=1S/C18H22O2.H3N/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;/h5-14H,1-4H3;1H3
InChIKeyJXFBZBOMINYJDR-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.97
Rot. Bonds5

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

azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (PubChem CID 159050538) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Nameazane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
PubChem CID159050538
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameazane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.N
InChIInChI=1S/C18H22O2.H3N/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;/h5-14H,1-4H3;1H3
InChIKeyJXFBZBOMINYJDR-UHFFFAOYSA-N
XLogP4.97
TPSA53.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
[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 azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The IUPAC name of azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene (CID 159050538) is azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1.N.
What is the InChIKey of azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
The InChIKey is JXFBZBOMINYJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.H3N/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;/h5-14H,1-4H3;1H3.
What are the key properties of azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene?
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene has a molecular weight of 287.40 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 159050538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).