disodium;undecanedioate

C11H18Na2O4 — CID 15107599

IUPACdisodium;undecanedioate
SMILESO=C([O-])CCCCCCCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C11H20O4.2Na/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;;/h1-9H2,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyRNQNXKPMVJOUKE-UHFFFAOYSA-L
MW260.24 g/mol
LogP-5.99
Rot. Bonds10

About disodium;undecanedioate

disodium;undecanedioate (PubChem CID 15107599) has the molecular formula C11H18Na2O4 and a molecular weight of 260.24 g/mol. Its IUPAC name is disodium;undecanedioate.

Molecular Properties

Compound Namedisodium;undecanedioate
PubChem CID15107599
Molecular FormulaC11H18Na2O4
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Namedisodium;undecanedioate
SMILESO=C([O-])CCCCCCCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C11H20O4.2Na/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;;/h1-9H2,(H,12,13)(H,14,15);;/q;2*+1/p-2
InChIKeyRNQNXKPMVJOUKE-UHFFFAOYSA-L
XLogP-5.99
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-5.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridecanedioate
CID 6994474
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289
diazanium;decanedioate;tetrahydrate
CID 164522068
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074
cadmium(2+);hexanedioate
CID 19376883

Frequently Asked Questions

What is the IUPAC name of disodium;undecanedioate?
The IUPAC name of disodium;undecanedioate (CID 15107599) is disodium;undecanedioate.
What is the SMILES notation for disodium;undecanedioate?
The canonical SMILES for disodium;undecanedioate is O=C([O-])CCCCCCCCCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;undecanedioate?
The InChIKey is RNQNXKPMVJOUKE-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H20O4.2Na/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15;;/h1-9H2,(H,12,13)(H,14,15);;/q;2*+1/p-2.
What are the key properties of disodium;undecanedioate?
disodium;undecanedioate has a molecular weight of 260.24 g/mol, XLogP of -5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;undecanedioate is sourced from PubChem (CID 15107599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).