Disodium Rhodizonate

C6Na2O6 — CID 139068412

IUPAC—
SMILESO=C1C(=O)C(=O)C(=O)C(=O)C1=O.[Na].[Na]
InChIInChI=1S/C6O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;
InChIKeySIVSOQRTHDYSMP-UHFFFAOYSA-N
MW214.04 g/mol
LogP-3.35
Rot. Bonds

About Disodium Rhodizonate

Disodium Rhodizonate (PubChem CID 139068412) has the molecular formula C6Na2O6 and a molecular weight of 214.04 g/mol.

Molecular Properties

Compound NameDisodium Rhodizonate
PubChem CID139068412
Molecular FormulaC6Na2O6
Molecular Weight214.04 g/mol
Exact Mass213.95
IUPAC Name—
SMILESO=C1C(=O)C(=O)C(=O)C(=O)C1=O.[Na].[Na]
InChIInChI=1S/C6O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;
InChIKeySIVSOQRTHDYSMP-UHFFFAOYSA-N
XLogP-3.35
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.04
LogP ≤ 5-3.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cycloheptane-1,2,3,4,5,6,7-heptone
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cyclooctane-1,2,3,4,5,6,7,8-octone
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CID 66807709
CID 66807709
2,3,4,5,6-pentaoxocyclohexan-1-olate
CID 102197482
CID 118898551
CID 118898551
CID 70452597
CID 70452597
CID 70149619
CID 70149619
lithium;dioxomolybdenum;hydride
CID 175048121
nonacyclo[32.2.2.22,5.27,10.211,14.216,19.220,23.225,28.229,32]dopentaconta-1(37),2(52),3,5(51),7,9,11,13,16,18,20(44),21,23(43),25(42),26,28(41),29(40),30,32(39),34(38),35,45,47,49-tetracosaene-6,15,24,33-tetrone
CID 177494118
CID 172754951
CID 172754951
2,3,5,6-tetrakis(ethenyl)cyclohexa-2,5-diene-1,4-dione
CID 139417142
1,3,4,6-tetrakis(sulfanylidene)-3a,6a-dihydropentalene-2,5-dione
CID 91517545

Frequently Asked Questions

What is the IUPAC name of Disodium Rhodizonate?
The IUPAC name of Disodium Rhodizonate (CID 139068412) is not available.
What is the SMILES notation for Disodium Rhodizonate?
The canonical SMILES for Disodium Rhodizonate is O=C1C(=O)C(=O)C(=O)C(=O)C1=O.[Na].[Na].
What is the InChIKey of Disodium Rhodizonate?
The InChIKey is SIVSOQRTHDYSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;.
What are the key properties of Disodium Rhodizonate?
Disodium Rhodizonate has a molecular weight of 214.04 g/mol, XLogP of -3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Disodium Rhodizonate is sourced from PubChem (CID 139068412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).