1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane

C20H32O2 — CID 175999840

IUPAC1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
SMILESC=C(C)c1cccc(C(=C)C)c1.CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C12H14.C8H18O2/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(2,3)9-10-8(4,5)6/h5-8H,1,3H2,2,4H3;1-6H3
InChIKeyZMDWGCPKJPHDFI-UHFFFAOYSA-N
MW304.47 g/mol
LogP6.28
Rot. Bonds3

About 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane

1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane (PubChem CID 175999840) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane.

Molecular Properties

Compound Name1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
PubChem CID175999840
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
SMILESC=C(C)c1cccc(C(=C)C)c1.CC(C)(C)OOC(C)(C)C
InChIInChI=1S/C12H14.C8H18O2/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(2,3)9-10-8(4,5)6/h5-8H,1,3H2,2,4H3;1-6H3
InChIKeyZMDWGCPKJPHDFI-UHFFFAOYSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.47
LogP ≤ 56.28
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

1,3-bis(prop-1-en-2-yl)benzene;2-methoxy-4,4-dimethylpent-1-ene
CID 142555412
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595
1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene
CID 19814596
CID 23599187
CID 23599187
(3-tert-butylperoxy-3-methylbut-1-en-2-yl)benzene
CID 154273047
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
lithium;1,3-bis(prop-1-en-2-yl)benzene;butane
CID 158400502
1-prop-1-en-2-yl-3-[2-[2-(3-prop-1-en-2-ylphenyl)heptan-2-ylperoxy]heptan-2-yl]benzene
CID 174913877
1-(2-tert-butylperoxypropan-2-yl)-2,3-bis(prop-1-en-2-yl)benzene
CID 118065148
CID 151027648
CID 151027648
trimethoxy-(3-prop-1-en-2-ylphenyl)silane
CID 21219270

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane?
The IUPAC name of 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane (CID 175999840) is 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane.
What is the SMILES notation for 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane?
The canonical SMILES for 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane is C=C(C)c1cccc(C(=C)C)c1.CC(C)(C)OOC(C)(C)C.
What is the InChIKey of 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane?
The InChIKey is ZMDWGCPKJPHDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C8H18O2/c1-9(2)11-6-5-7-12(8-11)10(3)4;1-7(2,3)9-10-8(4,5)6/h5-8H,1,3H2,2,4H3;1-6H3.
What are the key properties of 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane?
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane has a molecular weight of 304.47 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane is sourced from PubChem (CID 175999840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).