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

C17H28O2 — CID 155094998

IUPAC2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene
SMILESCCCC(OOC(C)(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-7-11-15(16(2,3)4)18-19-17(5,6)14-12-9-8-10-13-14/h8-10,12-13,15H,7,11H2,1-6H3
InChIKeyUIOHVCAULVTDTQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.08
Rot. Bonds6

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

2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene (PubChem CID 155094998) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene
PubChem CID155094998
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene
SMILESCCCC(OOC(C)(C)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H28O2/c1-7-11-15(16(2,3)4)18-19-17(5,6)14-12-9-8-10-13-14/h8-10,12-13,15H,7,11H2,1-6H3
InChIKeyUIOHVCAULVTDTQ-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.08
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

1-(2-phenylpropan-2-ylperoxy)pentan-2-ol
CID 159732482
2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174400461
(7R)-7-(2-phenylpropan-2-ylperoxy)decan-5-one
CID 135054296
azane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 159050538
2-ethylperoxypropan-2-ylbenzene
CID 14923166
2,2-dimethylhexan-3-yloxy(diphenyl)silane
CID 173016744
2-but-3-en-2-ylperoxypropan-2-ylbenzene
CID 23166979
(2-phenyl-3-propylhexan-2-yl)benzene
CID 139749619
1-(2-phenylpropan-2-ylperoxy)ethyl hexanoate
CID 88658895
[diphenyl(2-phenylpropan-2-ylperoxy)methyl]benzene
CID 13066047
dichlorozinc;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174507938
2-(2,3-dimethylbutan-2-ylperoxy)propan-2-ylbenzene
CID 71441209

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene?
The IUPAC name of 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene (CID 155094998) is 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene.
What is the SMILES notation for 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene?
The canonical SMILES for 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene is CCCC(OOC(C)(C)c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene?
The InChIKey is UIOHVCAULVTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-7-11-15(16(2,3)4)18-19-17(5,6)14-12-9-8-10-13-14/h8-10,12-13,15H,7,11H2,1-6H3.
What are the key properties of 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene?
2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene has a molecular weight of 264.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhexan-3-ylperoxy)propan-2-ylbenzene is sourced from PubChem (CID 155094998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).