1-ethenylperoxyprop-2-enylbenzene

C11H12O2 — CID 88766923

IUPAC1-ethenylperoxyprop-2-enylbenzene
SMILESC=COOC(C=C)c1ccccc1
InChIInChI=1S/C11H12O2/c1-3-11(13-12-4-2)10-8-6-5-7-9-10/h3-9,11H,1-2H2
InChIKeyFVKRDNQJXHGYFQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP3.01
Rot. Bonds5

About 1-ethenylperoxyprop-2-enylbenzene

1-ethenylperoxyprop-2-enylbenzene (PubChem CID 88766923) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-ethenylperoxyprop-2-enylbenzene.

Molecular Properties

Compound Name1-ethenylperoxyprop-2-enylbenzene
PubChem CID88766923
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name1-ethenylperoxyprop-2-enylbenzene
SMILESC=COOC(C=C)c1ccccc1
InChIInChI=1S/C11H12O2/c1-3-11(13-12-4-2)10-8-6-5-7-9-10/h3-9,11H,1-2H2
InChIKeyFVKRDNQJXHGYFQ-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

1-methoxyprop-2-enylbenzene
CID 11029990
1-phenoxyprop-2-enylbenzene
CID 11735962
1-[1-[1-(1-phenylprop-2-enoxy)ethylsulfanyl]ethoxy]prop-2-enylbenzene
CID 19001747
2-(1-phenylprop-2-enoxymethyl)oxirane
CID 22186254
tert-butyl [(1S)-1-phenylprop-2-enyl] carbonate
CID 25140708
1-[2-(1-phenylprop-2-enoxy)ethylsulfanyl]prop-2-enylbenzene
CID 67821654
N-benzyl-1-phenyl-N-(1-phenylprop-2-enoxy)methanamine
CID 11209688
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
1-(1-phenylprop-2-enyldiselanyl)prop-2-enylbenzene
CID 102511686
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627

Frequently Asked Questions

What is the IUPAC name of 1-ethenylperoxyprop-2-enylbenzene?
The IUPAC name of 1-ethenylperoxyprop-2-enylbenzene (CID 88766923) is 1-ethenylperoxyprop-2-enylbenzene.
What is the SMILES notation for 1-ethenylperoxyprop-2-enylbenzene?
The canonical SMILES for 1-ethenylperoxyprop-2-enylbenzene is C=COOC(C=C)c1ccccc1.
What is the InChIKey of 1-ethenylperoxyprop-2-enylbenzene?
The InChIKey is FVKRDNQJXHGYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-3-11(13-12-4-2)10-8-6-5-7-9-10/h3-9,11H,1-2H2.
What are the key properties of 1-ethenylperoxyprop-2-enylbenzene?
1-ethenylperoxyprop-2-enylbenzene has a molecular weight of 176.21 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylperoxyprop-2-enylbenzene is sourced from PubChem (CID 88766923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).