3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)

C10H5O5RbS — CID 139842307

IUPAC3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)
SMILESO=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O.[Rb+]
InChIInChI=1S/C10H6O5S.Rb/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1
InChIKeyYWKCYIYLHRDEBT-UHFFFAOYSA-M
MW322.68 g/mol
LogP-2.66
Rot. Bonds1

About 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)

3,4-dioxonaphthalene-1-sulfonate;rubidium(1+) (PubChem CID 139842307) has the molecular formula C10H5O5RbS and a molecular weight of 322.68 g/mol. Its IUPAC name is 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+).

Molecular Properties

Compound Name3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)
PubChem CID139842307
Molecular FormulaC10H5O5RbS
Molecular Weight322.68 g/mol
Exact Mass321.90
IUPAC Name3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)
SMILESO=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O.[Rb+]
InChIInChI=1S/C10H6O5S.Rb/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1
InChIKeyYWKCYIYLHRDEBT-UHFFFAOYSA-M
XLogP-2.66
TPSA91.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.68
LogP ≤ 5-2.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium 3,4-dioxonaphthalen-1-olate
CID 23703978
potassium;sodium;bis(9,10-dioxoanthracene-1-sulfonate)
CID 141231244
azane;1,4-dioxonaphthalene-2-sulfonic acid
CID 131881245
1,4-NAPHTHOQUINONE-2-SULFONIC ACID, K
CID 87254371
sodium;1,4-dioxonaphthalene-2-sulfonic acid;hydride
CID 173009524
CID 66807709
CID 66807709
CID 67824005
CID 67824005
anthracene-9,10-dione;hydrofluoride
CID 172728823
lithium;anthracene-9,10-dione;hydride
CID 174683199
phenanthrene-9,10-dione
CID 6763
2-(2-methylpropylsulfonyl)naphthalene-1,4-dione
CID 139943389
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138

Frequently Asked Questions

What is the IUPAC name of 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)?
The IUPAC name of 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+) (CID 139842307) is 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+).
What is the SMILES notation for 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)?
The canonical SMILES for 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+) is O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=O.[Rb+].
What is the InChIKey of 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)?
The InChIKey is YWKCYIYLHRDEBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H6O5S.Rb/c11-8-5-9(16(13,14)15)6-3-1-2-4-7(6)10(8)12;/h1-5H,(H,13,14,15);/q;+1/p-1.
What are the key properties of 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+)?
3,4-dioxonaphthalene-1-sulfonate;rubidium(1+) has a molecular weight of 322.68 g/mol, XLogP of -2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dioxonaphthalene-1-sulfonate;rubidium(1+) is sourced from PubChem (CID 139842307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).