2-ethylperoxypropan-2-ylbenzene

C11H16O2 — CID 14923166

IUPAC2-ethylperoxypropan-2-ylbenzene
SMILESCCOOC(C)(C)c1ccccc1
InChIInChI=1S/C11H16O2/c1-4-12-13-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyGAXNHYFVTWKENJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.89
Rot. Bonds4

About 2-ethylperoxypropan-2-ylbenzene

2-ethylperoxypropan-2-ylbenzene (PubChem CID 14923166) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-ethylperoxypropan-2-ylbenzene.

Molecular Properties

Compound Name2-ethylperoxypropan-2-ylbenzene
PubChem CID14923166
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-ethylperoxypropan-2-ylbenzene
SMILESCCOOC(C)(C)c1ccccc1
InChIInChI=1S/C11H16O2/c1-4-12-13-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
InChIKeyGAXNHYFVTWKENJ-UHFFFAOYSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
2-(2-phenylpropan-2-ylperoxy)ethanol
CID 13111058
2-but-2-enylperoxypropan-2-ylbenzene
CID 57128435
1-(2-phenylpropan-2-ylperoxy)pentan-2-ol
CID 159732482
[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
2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene
CID 155094998
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209
butane;2-phenylpropan-2-yl benzenecarboperoxoate
CID 174772868

Frequently Asked Questions

What is the IUPAC name of 2-ethylperoxypropan-2-ylbenzene?
The IUPAC name of 2-ethylperoxypropan-2-ylbenzene (CID 14923166) is 2-ethylperoxypropan-2-ylbenzene.
What is the SMILES notation for 2-ethylperoxypropan-2-ylbenzene?
The canonical SMILES for 2-ethylperoxypropan-2-ylbenzene is CCOOC(C)(C)c1ccccc1.
What is the InChIKey of 2-ethylperoxypropan-2-ylbenzene?
The InChIKey is GAXNHYFVTWKENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-4-12-13-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3.
What are the key properties of 2-ethylperoxypropan-2-ylbenzene?
2-ethylperoxypropan-2-ylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylperoxypropan-2-ylbenzene is sourced from PubChem (CID 14923166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).