1-tert-butylperoxy-4-propan-2-ylbenzene

C13H20O2 — CID 20523322

IUPAC1-tert-butylperoxy-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(OOC(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-10(2)11-6-8-12(9-7-11)14-15-13(3,4)5/h6-10H,1-5H3
InChIKeyVFLSCYIBWPEYNV-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.92
Rot. Bonds3

About 1-tert-butylperoxy-4-propan-2-ylbenzene

1-tert-butylperoxy-4-propan-2-ylbenzene (PubChem CID 20523322) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-tert-butylperoxy-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butylperoxy-4-propan-2-ylbenzene
PubChem CID20523322
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-tert-butylperoxy-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(OOC(C)(C)C)cc1
InChIInChI=1S/C13H20O2/c1-10(2)11-6-8-12(9-7-11)14-15-13(3,4)5/h6-10H,1-5H3
InChIKeyVFLSCYIBWPEYNV-UHFFFAOYSA-N
XLogP3.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.92
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-(4-methylheptan-4-ylperoxy)-4-propan-2-ylbenzene
CID 101301230
1-(2,3-dimethylhexan-3-ylperoxy)-4-propan-2-ylbenzene
CID 101301233
1-(2-methylheptan-2-ylperoxy)-4-propan-2-ylbenzene
CID 101301269
cumene;2-methoxy-2-methylpropane
CID 68666509
1-tert-butyl-4-[2-(4-tert-butylperoxyphenyl)propan-2-yl]benzene
CID 146237580
2-(4-propan-2-ylphenoxy)propane-2-thiol
CID 137410677
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
CID 175005292
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
CID 57035450
CID 57035450

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylperoxy-4-propan-2-ylbenzene?
The IUPAC name of 1-tert-butylperoxy-4-propan-2-ylbenzene (CID 20523322) is 1-tert-butylperoxy-4-propan-2-ylbenzene.
What is the SMILES notation for 1-tert-butylperoxy-4-propan-2-ylbenzene?
The canonical SMILES for 1-tert-butylperoxy-4-propan-2-ylbenzene is CC(C)c1ccc(OOC(C)(C)C)cc1.
What is the InChIKey of 1-tert-butylperoxy-4-propan-2-ylbenzene?
The InChIKey is VFLSCYIBWPEYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-10(2)11-6-8-12(9-7-11)14-15-13(3,4)5/h6-10H,1-5H3.
What are the key properties of 1-tert-butylperoxy-4-propan-2-ylbenzene?
1-tert-butylperoxy-4-propan-2-ylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylperoxy-4-propan-2-ylbenzene is sourced from PubChem (CID 20523322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).