[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene

C24H32O4 — CID 102271818

IUPAC[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene
SMILESCC(C)(C)OOC(/C=C/C(OOC(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O4/c1-23(2,3)27-25-21(19-13-9-7-10-14-19)17-18-22(26-28-24(4,5)6)20-15-11-8-12-16-20/h7-18,21-22H,1-6H3/b18-17+
InChIKeyDGJUYSCHHDUDES-ISLYRVAYSA-N
MW384.52 g/mol
LogP6.52
Rot. Bonds8

About [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene

[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene (PubChem CID 102271818) has the molecular formula C24H32O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene
PubChem CID102271818
Molecular FormulaC24H32O4
Molecular Weight384.52 g/mol
Exact Mass384.23
IUPAC Name[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene
SMILESCC(C)(C)OOC(/C=C/C(OOC(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H32O4/c1-23(2,3)27-25-21(19-13-9-7-10-14-19)17-18-22(26-28-24(4,5)6)20-15-11-8-12-16-20/h7-18,21-22H,1-6H3/b18-17+
InChIKeyDGJUYSCHHDUDES-ISLYRVAYSA-N
XLogP6.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(E,1S)-4-methoxy-1,4-diphenylbut-2-enoxy]-dimethylsilane
CID 101242327
[(E)-1-methoxy-3-phenylprop-2-enyl]benzene
CID 10353588
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
[(E,1S)-1-methoxybut-2-enyl]benzene
CID 129385395
(2R)-2-phenyl-2-propan-2-yloxyacetaldehyde
CID 124578012
cumene;2-methoxy-2-methylpropane
CID 68666509
(1-tert-butylperoxy-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)benzene
CID 175044031
(1-tert-butylperoxy-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)benzene
CID 175043636
[(E,1R)-1-ethoxy-3-phenylprop-2-enyl]benzene
CID 100939369
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
1-methoxyprop-2-enylbenzene
CID 11029990
2-tert-butylperoxy-2-methylpropane;1,2-di(propan-2-yl)benzene;hydrogen peroxide
CID 172680598

Frequently Asked Questions

What is the IUPAC name of [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene?
The IUPAC name of [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene (CID 102271818) is [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene.
What is the SMILES notation for [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene?
The canonical SMILES for [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene is CC(C)(C)OOC(/C=C/C(OOC(C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene?
The InChIKey is DGJUYSCHHDUDES-ISLYRVAYSA-N. The full InChI is InChI=1S/C24H32O4/c1-23(2,3)27-25-21(19-13-9-7-10-14-19)17-18-22(26-28-24(4,5)6)20-15-11-8-12-16-20/h7-18,21-22H,1-6H3/b18-17+.
What are the key properties of [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene?
[(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene has a molecular weight of 384.52 g/mol, XLogP of 6.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,4-bis(tert-butylperoxy)-4-phenylbut-2-enyl]benzene is sourced from PubChem (CID 102271818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).