2-methylpentan-2-ylperoxybenzene

C12H18O2 — CID 22765784

IUPAC2-methylpentan-2-ylperoxybenzene
SMILESCCCC(C)(C)OOc1ccccc1
InChIInChI=1S/C12H18O2/c1-4-10-12(2,3)14-13-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyVFBTXFSGERFOCC-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.58
Rot. Bonds5

About 2-methylpentan-2-ylperoxybenzene

2-methylpentan-2-ylperoxybenzene (PubChem CID 22765784) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-methylpentan-2-ylperoxybenzene.

Molecular Properties

Compound Name2-methylpentan-2-ylperoxybenzene
PubChem CID22765784
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-methylpentan-2-ylperoxybenzene
SMILESCCCC(C)(C)OOc1ccccc1
InChIInChI=1S/C12H18O2/c1-4-10-12(2,3)14-13-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
InChIKeyVFBTXFSGERFOCC-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.58
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-methylhexan-2-ylperoxybenzene
CID 151514509
2-methylpentan-2-ylperoxy benzenecarboperoxoate
CID 150013958
1-(2-methylheptan-2-ylperoxy)-4-propan-2-ylbenzene
CID 101301269
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
propylperoxybenzene
CID 87444466
tert-butyl(2-phenoxypentan-2-yl)diazene
CID 173463425
2-methylpentan-2-yl benzoate;hydrate
CID 162320835
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
2-phenoxybutan-2-ylphosphane
CID 89070581
2-(2-phenoxyethoxy)pentan-2-ol
CID 141202879
2-methylheptan-2-yl-bis(2-methylheptan-2-yloxy)-phenoxyphosphanium
CID 21499229
CID 19392003
CID 19392003

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-ylperoxybenzene?
The IUPAC name of 2-methylpentan-2-ylperoxybenzene (CID 22765784) is 2-methylpentan-2-ylperoxybenzene.
What is the SMILES notation for 2-methylpentan-2-ylperoxybenzene?
The canonical SMILES for 2-methylpentan-2-ylperoxybenzene is CCCC(C)(C)OOc1ccccc1.
What is the InChIKey of 2-methylpentan-2-ylperoxybenzene?
The InChIKey is VFBTXFSGERFOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-10-12(2,3)14-13-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-methylpentan-2-ylperoxybenzene?
2-methylpentan-2-ylperoxybenzene has a molecular weight of 194.27 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-ylperoxybenzene is sourced from PubChem (CID 22765784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).