1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane

C18H28O2 — CID 162247147

IUPAC1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
SMILESC=Cc1ccccc1C=C.CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H10.C8H18O2/c1-3-9-7-5-6-8-10(9)4-2;1-7(2,3)9-10-8(4,5)6/h3-8H,1-2H2;1-6H3
InChIKeyZXMKAISHOCCLJN-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.50
Rot. Bonds3

About 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane

1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane (PubChem CID 162247147) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane.

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
PubChem CID162247147
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane
SMILESC=Cc1ccccc1C=C.CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C10H10.C8H18O2/c1-3-9-7-5-6-8-10(9)4-2;1-7(2,3)9-10-8(4,5)6/h3-8H,1-2H2;1-6H3
InChIKeyZXMKAISHOCCLJN-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.50
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-ethenyl-2-[2-(2-ethenylphenyl)ethenyl]benzene
CID 162779028
CID 67878092
CID 67878092
1,2-bis(ethenyl)benzene;platinum
CID 175428021
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CID 143139503
1,2-bis(ethenyl)benzene;buta-1,3-diene;ethane
CID 143099406
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1,2-bis(ethenyl)benzene;ethene;naphthalene
CID 166536804
1,2-bis(ethenyl)benzene;2-methylbuta-1,3-diene
CID 6454102
1-tert-butylsulfanyl-2-ethenylbenzene
CID 58851200
ditert-butyl (2-ethenylphenyl) phosphate
CID 54262154
O-(2-tert-butyl-6-ethenylphenyl)hydroxylamine
CID 145139423
[2-[(E)-2-(2-ethenylphenyl)ethenyl]-5-[(E)-2-[2-[(E)-2-[4-[(E)-2-(2-ethenylphenyl)ethenyl]-2,5-bis(trimethylsilyl)phenyl]ethenyl]phenyl]ethenyl]-4-trimethylsilylphenyl]-trimethylsilane
CID 101048545

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane?
The IUPAC name of 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane (CID 162247147) is 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane.
What is the SMILES notation for 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane?
The canonical SMILES for 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane is C=Cc1ccccc1C=C.CC(C)(C)OOC(C)(C)C.
What is the InChIKey of 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane?
The InChIKey is ZXMKAISHOCCLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C8H18O2/c1-3-9-7-5-6-8-10(9)4-2;1-7(2,3)9-10-8(4,5)6/h3-8H,1-2H2;1-6H3.
What are the key properties of 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane?
1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane has a molecular weight of 276.42 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;2-tert-butylperoxy-2-methylpropane is sourced from PubChem (CID 162247147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).