6,11-dioxotetracene-5,12-diolate

C18H8O4-2 — CID 102258482

IUPAC6,11-dioxotetracene-5,12-diolate
SMILESO=C1c2ccccc2C(=O)c2c1c([O-])c1ccccc1c2[O-]
InChIInChI=1S/C18H10O4/c19-15-9-5-1-2-6-10(9)16(20)14-13(15)17(21)11-7-3-4-8-12(11)18(14)22/h1-8,19-20H/p-2
InChIKeyQECAURYYBPUIFF-UHFFFAOYSA-L
MW288.26 g/mol
LogP1.76
Rot. Bonds

About 6,11-dioxotetracene-5,12-diolate

6,11-dioxotetracene-5,12-diolate (PubChem CID 102258482) has the molecular formula C18H8O4-2 and a molecular weight of 288.26 g/mol. Its IUPAC name is 6,11-dioxotetracene-5,12-diolate.

Molecular Properties

Compound Name6,11-dioxotetracene-5,12-diolate
PubChem CID102258482
Molecular FormulaC18H8O4-2
Molecular Weight288.26 g/mol
Exact Mass288.04
IUPAC Name6,11-dioxotetracene-5,12-diolate
SMILESO=C1c2ccccc2C(=O)c2c1c([O-])c1ccccc1c2[O-]
InChIInChI=1S/C18H10O4/c19-15-9-5-1-2-6-10(9)16(20)14-13(15)17(21)11-7-3-4-8-12(11)18(14)22/h1-8,19-20H/p-2
InChIKeyQECAURYYBPUIFF-UHFFFAOYSA-L
XLogP1.76
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,11-dioxotetracene-5,12-diolate?
The IUPAC name of 6,11-dioxotetracene-5,12-diolate (CID 102258482) is 6,11-dioxotetracene-5,12-diolate.
What is the SMILES notation for 6,11-dioxotetracene-5,12-diolate?
The canonical SMILES for 6,11-dioxotetracene-5,12-diolate is O=C1c2ccccc2C(=O)c2c1c([O-])c1ccccc1c2[O-].
What is the InChIKey of 6,11-dioxotetracene-5,12-diolate?
The InChIKey is QECAURYYBPUIFF-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H10O4/c19-15-9-5-1-2-6-10(9)16(20)14-13(15)17(21)11-7-3-4-8-12(11)18(14)22/h1-8,19-20H/p-2.
What are the key properties of 6,11-dioxotetracene-5,12-diolate?
6,11-dioxotetracene-5,12-diolate has a molecular weight of 288.26 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dioxotetracene-5,12-diolate is sourced from PubChem (CID 102258482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).