Hexanedioic acid, sodium salt (1:)

C6H10NaO4 — CID 87066922

IUPAC—
SMILESO=C(O)CCCCC(=O)O.[Na]
InChIInChI=1S/C6H10O4.Na/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);
InChIKeyJNWGMESTOMYLND-UHFFFAOYSA-N
MW169.13 g/mol
LogP0.34
Rot. Bonds5

About Hexanedioic acid, sodium salt (1:)

Hexanedioic acid, sodium salt (1:) (PubChem CID 87066922) has the molecular formula C6H10NaO4 and a molecular weight of 169.13 g/mol.

Molecular Properties

Compound NameHexanedioic acid, sodium salt (1:)
PubChem CID87066922
Molecular FormulaC6H10NaO4
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name—
SMILESO=C(O)CCCCC(=O)O.[Na]
InChIInChI=1S/C6H10O4.Na/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);
InChIKeyJNWGMESTOMYLND-UHFFFAOYSA-N
XLogP0.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 Hexanedioic acid, sodium salt (1:)?
The IUPAC name of Hexanedioic acid, sodium salt (1:) (CID 87066922) is not available.
What is the SMILES notation for Hexanedioic acid, sodium salt (1:)?
The canonical SMILES for Hexanedioic acid, sodium salt (1:) is O=C(O)CCCCC(=O)O.[Na].
What is the InChIKey of Hexanedioic acid, sodium salt (1:)?
The InChIKey is JNWGMESTOMYLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.Na/c7-5(8)3-1-2-4-6(9)10;/h1-4H2,(H,7,8)(H,9,10);.
What are the key properties of Hexanedioic acid, sodium salt (1:)?
Hexanedioic acid, sodium salt (1:) has a molecular weight of 169.13 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Hexanedioic acid, sodium salt (1:) is sourced from PubChem (CID 87066922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).