methoxymethylperoxybenzene

C8H10O3 — CID 89305996

IUPACmethoxymethylperoxybenzene
SMILESCOCOOc1ccccc1
InChIInChI=1S/C8H10O3/c1-9-7-10-11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyTXPZISYRWPWZMA-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.60
Rot. Bonds4

About methoxymethylperoxybenzene

methoxymethylperoxybenzene (PubChem CID 89305996) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methoxymethylperoxybenzene.

Molecular Properties

Compound Namemethoxymethylperoxybenzene
PubChem CID89305996
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethoxymethylperoxybenzene
SMILESCOCOOc1ccccc1
InChIInChI=1S/C8H10O3/c1-9-7-10-11-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyTXPZISYRWPWZMA-UHFFFAOYSA-N
XLogP1.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 methoxymethylperoxybenzene?
The IUPAC name of methoxymethylperoxybenzene (CID 89305996) is methoxymethylperoxybenzene.
What is the SMILES notation for methoxymethylperoxybenzene?
The canonical SMILES for methoxymethylperoxybenzene is COCOOc1ccccc1.
What is the InChIKey of methoxymethylperoxybenzene?
The InChIKey is TXPZISYRWPWZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-9-7-10-11-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of methoxymethylperoxybenzene?
methoxymethylperoxybenzene has a molecular weight of 154.16 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethylperoxybenzene is sourced from PubChem (CID 89305996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).