disodium;hexanedioate

C6H8Na2O4 — CID 24073

IUPACdisodium;hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H10O4.2Na/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyKYKFCSHPTAVNJD-UHFFFAOYSA-L
MW190.11 g/mol
LogP-7.95
Rot. Bonds5

About disodium;hexanedioate

disodium;hexanedioate (PubChem CID 24073) has the molecular formula C6H8Na2O4 and a molecular weight of 190.11 g/mol. Its IUPAC name is disodium;hexanedioate.

Molecular Properties

Compound Namedisodium;hexanedioate
PubChem CID24073
Molecular FormulaC6H8Na2O4
Molecular Weight190.11 g/mol
Exact Mass190.02
IUPAC Namedisodium;hexanedioate
SMILESO=C([O-])CCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H10O4.2Na/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2
InChIKeyKYKFCSHPTAVNJD-UHFFFAOYSA-L
XLogP-7.95
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 5-7.95
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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Frequently Asked Questions

What is the IUPAC name of disodium;hexanedioate?
The IUPAC name of disodium;hexanedioate (CID 24073) is disodium;hexanedioate.
What is the SMILES notation for disodium;hexanedioate?
The canonical SMILES for disodium;hexanedioate is O=C([O-])CCCCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;hexanedioate?
The InChIKey is KYKFCSHPTAVNJD-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4.2Na/c7-5(8)3-1-2-4-6(9)10;;/h1-4H2,(H,7,8)(H,9,10);;/q;2*+1/p-2.
What are the key properties of disodium;hexanedioate?
disodium;hexanedioate has a molecular weight of 190.11 g/mol, XLogP of -7.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hexanedioate is sourced from PubChem (CID 24073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).