2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene

C15H24O2 — CID 71441209

IUPAC2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)C(C)(C)OOC(C)(C)c1ccccc1
InChIInChI=1S/C15H24O2/c1-12(2)14(3,4)16-17-15(5,6)13-10-8-7-9-11-13/h7-12H,1-6H3
InChIKeyIMFKECHGEVIHJX-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.30
Rot. Bonds5

About 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene

2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene (PubChem CID 71441209) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Name2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
PubChem CID71441209
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
SMILESCC(C)C(C)(C)OOC(C)(C)c1ccccc1
InChIInChI=1S/C15H24O2/c1-12(2)14(3,4)16-17-15(5,6)13-10-8-7-9-11-13/h7-12H,1-6H3
InChIKeyIMFKECHGEVIHJX-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.30
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
[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
ethenyl-tri(propan-2-yloxy)silane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 161319985
2-but-3-en-2-ylperoxypropan-2-ylbenzene
CID 23166979
bis(2-phenylpropan-2-yloxy)silane
CID 173308139
2-ethylperoxypropan-2-ylbenzene
CID 14923166
1-fluoro-2-[2-(2-phenylpropan-2-ylperoxy)propan-2-yl]benzene
CID 54518129
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene?
The IUPAC name of 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene (CID 71441209) is 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene is CC(C)C(C)(C)OOC(C)(C)c1ccccc1.
What is the InChIKey of 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene?
The InChIKey is IMFKECHGEVIHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(2)14(3,4)16-17-15(5,6)13-10-8-7-9-11-13/h7-12H,1-6H3.
What are the key properties of 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene?
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene has a molecular weight of 236.35 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 71441209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).