hydron;pentanedioate

C5H8O4 — CID 23322899

IUPAChydron;pentanedioate
SMILESO=C([O-])CCCC(=O)[O-].[H+].[H+]
InChIInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKeyJFCQEDHGNNZCLN-UHFFFAOYSA-N
MW132.12 g/mol
LogP-2.12
Rot. Bonds4

About hydron;pentanedioate

hydron;pentanedioate (PubChem CID 23322899) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is hydron;pentanedioate.

Molecular Properties

Compound Namehydron;pentanedioate
PubChem CID23322899
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Namehydron;pentanedioate
SMILESO=C([O-])CCCC(=O)[O-].[H+].[H+]
InChIInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKeyJFCQEDHGNNZCLN-UHFFFAOYSA-N
XLogP-2.12
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of hydron;pentanedioate?
The IUPAC name of hydron;pentanedioate (CID 23322899) is hydron;pentanedioate.
What is the SMILES notation for hydron;pentanedioate?
The canonical SMILES for hydron;pentanedioate is O=C([O-])CCCC(=O)[O-].[H+].[H+].
What is the InChIKey of hydron;pentanedioate?
The InChIKey is JFCQEDHGNNZCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9).
What are the key properties of hydron;pentanedioate?
hydron;pentanedioate has a molecular weight of 132.12 g/mol, XLogP of -2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;pentanedioate is sourced from PubChem (CID 23322899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).