ethenylperoxybenzene

C8H8O2 — CID 22345697

IUPACethenylperoxybenzene
SMILESC=COOc1ccccc1
InChIInChI=1S/C8H8O2/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyLTCRFQCTFYHZCZ-UHFFFAOYSA-N
MW136.15 g/mol
LogP2.14
Rot. Bonds3

About ethenylperoxybenzene

ethenylperoxybenzene (PubChem CID 22345697) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is ethenylperoxybenzene.

Molecular Properties

Compound Nameethenylperoxybenzene
PubChem CID22345697
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Nameethenylperoxybenzene
SMILESC=COOc1ccccc1
InChIInChI=1S/C8H8O2/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H2
InChIKeyLTCRFQCTFYHZCZ-UHFFFAOYSA-N
XLogP2.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

Phenol
CID 996
Phenolate Sodium
CID 4445035
Hydron phenoxide
CID 20488062
Phenol sulfate
CID 74426
Dibutyl phenyl phosphate
CID 17312
Phenol-d6
CID 123295
5,5-Dimethyl-2-phenoxy-1,3,2-dioxaphosphinane
CID 76464
Phenyl vinyl ether
CID 69840
Dietholate
CID 36106
Phenylsulfamate
CID 11030308
Didecyl phenyl phosphite
CID 14741
Phosphorodichloridous acid, phenyl ester
CID 18908

Frequently Asked Questions

What is the IUPAC name of ethenylperoxybenzene?
The IUPAC name of ethenylperoxybenzene (CID 22345697) is ethenylperoxybenzene.
What is the SMILES notation for ethenylperoxybenzene?
The canonical SMILES for ethenylperoxybenzene is C=COOc1ccccc1.
What is the InChIKey of ethenylperoxybenzene?
The InChIKey is LTCRFQCTFYHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H2.
What are the key properties of ethenylperoxybenzene?
ethenylperoxybenzene has a molecular weight of 136.15 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylperoxybenzene is sourced from PubChem (CID 22345697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).