1,4-bis(2-tert-butylperoxypropan-2-yl)benzene

C20H34O4 — CID 17721

IUPAC1,4-bis(2-tert-butylperoxypropan-2-yl)benzene
SMILESCC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1
InChIInChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
InChIKeyGWQOYRSARAWVTC-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.65
Rot. Bonds6

About 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene

1,4-bis(2-tert-butylperoxypropan-2-yl)benzene (PubChem CID 17721) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1,4-bis(2-tert-butylperoxypropan-2-yl)benzene
PubChem CID17721
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name1,4-bis(2-tert-butylperoxypropan-2-yl)benzene
SMILESCC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1
InChIInChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3
InChIKeyGWQOYRSARAWVTC-UHFFFAOYSA-N
XLogP5.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene?
The IUPAC name of 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene (CID 17721) is 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene.
What is the SMILES notation for 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene?
The canonical SMILES for 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene is CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)OOC(C)(C)C)cc1.
What is the InChIKey of 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene?
The InChIKey is GWQOYRSARAWVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-17(2,3)21-23-19(7,8)15-11-13-16(14-12-15)20(9,10)24-22-18(4,5)6/h11-14H,1-10H3.
What are the key properties of 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene?
1,4-bis(2-tert-butylperoxypropan-2-yl)benzene has a molecular weight of 338.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-tert-butylperoxypropan-2-yl)benzene is sourced from PubChem (CID 17721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).