hexanedioate;hydron

C6H10O4 — CID 22494954

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IUPAChexanedioate;hydron
SMILESO=C([O-])CCCCC(=O)[O-].[H+].[H+]
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKeyWNLRTRBMVRJNCN-UHFFFAOYSA-N
MW146.14 g/mol
LogP-1.73
Rot. Bonds5

About hexanedioate;hydron

hexanedioate;hydron (PubChem CID 22494954) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is hexanedioate;hydron.

Molecular Properties

Compound Namehexanedioate;hydron
PubChem CID22494954
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Namehexanedioate;hydron
SMILESO=C([O-])CCCCC(=O)[O-].[H+].[H+]
InChIInChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKeyWNLRTRBMVRJNCN-UHFFFAOYSA-N
XLogP-1.73
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.73
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 hexanedioate;hydron?
The IUPAC name of hexanedioate;hydron (CID 22494954) is hexanedioate;hydron.
What is the SMILES notation for hexanedioate;hydron?
The canonical SMILES for hexanedioate;hydron is O=C([O-])CCCCC(=O)[O-].[H+].[H+].
What is the InChIKey of hexanedioate;hydron?
The InChIKey is WNLRTRBMVRJNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10).
What are the key properties of hexanedioate;hydron?
hexanedioate;hydron has a molecular weight of 146.14 g/mol, XLogP of -1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioate;hydron is sourced from PubChem (CID 22494954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).