(3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene

C16H26O2 — CID 23169940

IUPAC(3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene
SMILESCC(C)(C)OOC(C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26O2/c1-14(2,3)17-18-16(6,7)15(4,5)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyIQRZBLJYOLQYNY-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.49
Rot. Bonds4

About (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene

(3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene (PubChem CID 23169940) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene.

Molecular Properties

Compound Name(3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene
PubChem CID23169940
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene
SMILESCC(C)(C)OOC(C)(C)C(C)(C)c1ccccc1
InChIInChI=1S/C16H26O2/c1-14(2,3)17-18-16(6,7)15(4,5)13-11-9-8-10-12-13/h8-12H,1-7H3
InChIKeyIQRZBLJYOLQYNY-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.49
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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Frequently Asked Questions

What is the IUPAC name of (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene?
The IUPAC name of (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene (CID 23169940) is (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene.
What is the SMILES notation for (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene?
The canonical SMILES for (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene is CC(C)(C)OOC(C)(C)C(C)(C)c1ccccc1.
What is the InChIKey of (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene?
The InChIKey is IQRZBLJYOLQYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-14(2,3)17-18-16(6,7)15(4,5)13-11-9-8-10-12-13/h8-12H,1-7H3.
What are the key properties of (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene?
(3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butylperoxy-2,3-dimethylbutan-2-yl)benzene is sourced from PubChem (CID 23169940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).