1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide

C12H16O2 — CID 175029396

IUPAC1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
SMILESC=C(C)c1ccccc1C(=C)C.OO
InChIInChI=1S/C12H14.H2O2/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2/h5-8H,1,3H2,2,4H3;1-2H
InChIKeyOWSJVDUWJJNXHH-UHFFFAOYSA-N
MW192.26 g/mol
LogP3.77
Rot. Bonds2

About 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide

1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide (PubChem CID 175029396) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide.

Molecular Properties

Compound Name1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
PubChem CID175029396
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
SMILESC=C(C)c1ccccc1C(=C)C.OO
InChIInChI=1S/C12H14.H2O2/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2/h5-8H,1,3H2,2,4H3;1-2H
InChIKeyOWSJVDUWJJNXHH-UHFFFAOYSA-N
XLogP3.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.77
H-Bond Donors ≤ 52
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

lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;toluene
CID 173384676
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
1,2-bis(prop-1-en-2-yl)benzene;1,4-xylene
CID 143494216
actinium;2-prop-1-en-2-ylphenol
CID 20669246
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
lithium 2-prop-1-en-2-ylbenzoate
CID 102161119
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
ethane;bis(1-ethenyl-2-prop-1-en-2-ylbenzene)
CID 144540747

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide?
The IUPAC name of 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide (CID 175029396) is 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide.
What is the SMILES notation for 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide?
The canonical SMILES for 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide is C=C(C)c1ccccc1C(=C)C.OO.
What is the InChIKey of 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide?
The InChIKey is OWSJVDUWJJNXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.H2O2/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-2/h5-8H,1,3H2,2,4H3;1-2H.
What are the key properties of 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide?
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide has a molecular weight of 192.26 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide is sourced from PubChem (CID 175029396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).