ethylperoxybenzene

C8H10O2 — CID 15817998

IUPACethylperoxybenzene
SMILESCCOOc1ccccc1
InChIInChI=1S/C8H10O2/c1-2-9-10-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyJRNXSPIOMZDAQR-UHFFFAOYSA-N
MW138.17 g/mol
LogP2.02
Rot. Bonds3

About ethylperoxybenzene

ethylperoxybenzene (PubChem CID 15817998) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is ethylperoxybenzene.

Molecular Properties

Compound Nameethylperoxybenzene
PubChem CID15817998
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Nameethylperoxybenzene
SMILESCCOOc1ccccc1
InChIInChI=1S/C8H10O2/c1-2-9-10-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyJRNXSPIOMZDAQR-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of ethylperoxybenzene?
The IUPAC name of ethylperoxybenzene (CID 15817998) is ethylperoxybenzene.
What is the SMILES notation for ethylperoxybenzene?
The canonical SMILES for ethylperoxybenzene is CCOOc1ccccc1.
What is the InChIKey of ethylperoxybenzene?
The InChIKey is JRNXSPIOMZDAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-9-10-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethylperoxybenzene?
ethylperoxybenzene has a molecular weight of 138.17 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylperoxybenzene is sourced from PubChem (CID 15817998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).