disodium;butanedioic acid;hexanedioate

C10H14Na2O8 — CID 163708561

IUPACdisodium;butanedioic acid;hexanedioate
SMILESO=C(O)CCC(=O)O.O=C([O-])CCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H10O4.C4H6O4.2Na/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;;/h1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeyKHEUKVGWHODPQL-UHFFFAOYSA-L
MW308.19 g/mol
LogP-8.01
Rot. Bonds8

About disodium;butanedioic acid;hexanedioate

disodium;butanedioic acid;hexanedioate (PubChem CID 163708561) has the molecular formula C10H14Na2O8 and a molecular weight of 308.19 g/mol. Its IUPAC name is disodium;butanedioic acid;hexanedioate.

Molecular Properties

Compound Namedisodium;butanedioic acid;hexanedioate
PubChem CID163708561
Molecular FormulaC10H14Na2O8
Molecular Weight308.19 g/mol
Exact Mass308.05
IUPAC Namedisodium;butanedioic acid;hexanedioate
SMILESO=C(O)CCC(=O)O.O=C([O-])CCCCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C6H10O4.C4H6O4.2Na/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;;/h1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2
InChIKeyKHEUKVGWHODPQL-UHFFFAOYSA-L
XLogP-8.01
TPSA154.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 5-8.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze disodium;butanedioic acid;hexanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;butanedioic acid;6-hydroxy-6-oxohexanoate
CID 175049997
hexanedioate;hexanedioic acid
CID 90469810
diazanium;hexanedioate;hexanedioic acid
CID 159515789
7-hydroxy-7-oxoheptanoate
CID 5459958
disodium;undecanedioate
CID 15107599
dipotassium;4-hydroxy-4-oxobutanoate;5-hydroxy-5-oxopentanoate
CID 158109252
calcium bis(4-hydroxy-4-oxobutanoate)
CID 88814404
pentakis(4-hydroxy-4-oxobutanoate);niobium(5+)
CID 161140385
sodium;hexadecanoate;hexadecanoic acid
CID 159365282
sodium;docosanoic acid;octadecanoate
CID 174660155
disodium;decanoic acid;bis(octanoate)
CID 158676910
sodium;decanoic acid;dodecanoate
CID 159389890

Frequently Asked Questions

What is the IUPAC name of disodium;butanedioic acid;hexanedioate?
The IUPAC name of disodium;butanedioic acid;hexanedioate (CID 163708561) is disodium;butanedioic acid;hexanedioate.
What is the SMILES notation for disodium;butanedioic acid;hexanedioate?
The canonical SMILES for disodium;butanedioic acid;hexanedioate is O=C(O)CCC(=O)O.O=C([O-])CCCCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;butanedioic acid;hexanedioate?
The InChIKey is KHEUKVGWHODPQL-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4.C4H6O4.2Na/c7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8;;/h1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8);;/q;;2*+1/p-2.
What are the key properties of disodium;butanedioic acid;hexanedioate?
disodium;butanedioic acid;hexanedioate has a molecular weight of 308.19 g/mol, XLogP of -8.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;butanedioic acid;hexanedioate is sourced from PubChem (CID 163708561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).