[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene

C18H20O4 — CID 54173331

IUPAC[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene
SMILESCCOOC(=C(OOCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O4/c1-3-19-21-17(15-11-7-5-8-12-15)18(22-20-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyOWNUPGRAVJJOTC-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.45
Rot. Bonds8

About [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene

[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene (PubChem CID 54173331) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene
PubChem CID54173331
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene
SMILESCCOOC(=C(OOCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O4/c1-3-19-21-17(15-11-7-5-8-12-15)18(22-20-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyOWNUPGRAVJJOTC-UHFFFAOYSA-N
XLogP4.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[ethoxy(phenyl)methylidene]propanedioic acid
CID 69168972
1,2-diphenylethane-1,2-dione;ethoxyethane
CID 67496620
ethoxyethane;1-phenylethenylbenzene
CID 69353422
[2-methyl-1-(2-methyl-1-phenylprop-1-enoxy)prop-1-enyl]benzene
CID 57127661
3,3-diethoxy-2-phenylprop-2-enoic acid
CID 129094256
ethyl pyridine-3-carboperoxoate
CID 143721352
[ethoxy(phenyl)methylidene]azanium chloride
CID 11030512
CID 158970570
CID 158970570
[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
CID 23268007
1,1-diethoxybut-1-en-2-ylbenzene
CID 66973345
ethoxyethane benzoate
CID 22178435
ethyl 2-oxo-2-phenylacetate
CID 15349

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene?
The IUPAC name of [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene (CID 54173331) is [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene.
What is the SMILES notation for [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene?
The canonical SMILES for [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene is CCOOC(=C(OOCC)c1ccccc1)c1ccccc1.
What is the InChIKey of [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene?
The InChIKey is OWNUPGRAVJJOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-19-21-17(15-11-7-5-8-12-15)18(22-20-4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene?
[1,2-bis(ethylperoxy)-2-phenylethenyl]benzene has a molecular weight of 300.35 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(ethylperoxy)-2-phenylethenyl]benzene is sourced from PubChem (CID 54173331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).