naphthalene-2,6-dicarboperoxoic acid

C12H8O6 — CID 163709162

IUPACnaphthalene-2,6-dicarboperoxoic acid
SMILESO=C(OO)c1ccc2cc(C(=O)OO)ccc2c1
InChIInChI=1S/C12H8O6/c13-11(17-15)9-3-1-7-5-10(12(14)18-16)4-2-8(7)6-9/h1-6,15-16H
InChIKeyKHRXYBIDXLAMFT-UHFFFAOYSA-N
MW248.19 g/mol
LogP2.10
Rot. Bonds2

About naphthalene-2,6-dicarboperoxoic acid

naphthalene-2,6-dicarboperoxoic acid (PubChem CID 163709162) has the molecular formula C12H8O6 and a molecular weight of 248.19 g/mol. Its IUPAC name is naphthalene-2,6-dicarboperoxoic acid.

Molecular Properties

Compound Namenaphthalene-2,6-dicarboperoxoic acid
PubChem CID163709162
Molecular FormulaC12H8O6
Molecular Weight248.19 g/mol
Exact Mass248.03
IUPAC Namenaphthalene-2,6-dicarboperoxoic acid
SMILESO=C(OO)c1ccc2cc(C(=O)OO)ccc2c1
InChIInChI=1S/C12H8O6/c13-11(17-15)9-3-1-7-5-10(12(14)18-16)4-2-8(7)6-9/h1-6,15-16H
InChIKeyKHRXYBIDXLAMFT-UHFFFAOYSA-N
XLogP2.10
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 naphthalene-2,6-dicarboperoxoic acid?
The IUPAC name of naphthalene-2,6-dicarboperoxoic acid (CID 163709162) is naphthalene-2,6-dicarboperoxoic acid.
What is the SMILES notation for naphthalene-2,6-dicarboperoxoic acid?
The canonical SMILES for naphthalene-2,6-dicarboperoxoic acid is O=C(OO)c1ccc2cc(C(=O)OO)ccc2c1.
What is the InChIKey of naphthalene-2,6-dicarboperoxoic acid?
The InChIKey is KHRXYBIDXLAMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O6/c13-11(17-15)9-3-1-7-5-10(12(14)18-16)4-2-8(7)6-9/h1-6,15-16H.
What are the key properties of naphthalene-2,6-dicarboperoxoic acid?
naphthalene-2,6-dicarboperoxoic acid has a molecular weight of 248.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,6-dicarboperoxoic acid is sourced from PubChem (CID 163709162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).