diazanium;decanedioate;tetrahydrate

C10H32N2O8 — CID 164522068

IUPACdiazanium;decanedioate;tetrahydrate
SMILESO.O.O.O.O=C([O-])CCCCCCCCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C10H18O4.2H3N.4H2O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;4*1H2
InChIKeyXNHXAALRHCSTKK-UHFFFAOYSA-N
MW308.37 g/mol
LogP-2.94
Rot. Bonds9

About diazanium;decanedioate;tetrahydrate

diazanium;decanedioate;tetrahydrate (PubChem CID 164522068) has the molecular formula C10H32N2O8 and a molecular weight of 308.37 g/mol. Its IUPAC name is diazanium;decanedioate;tetrahydrate.

Molecular Properties

Compound Namediazanium;decanedioate;tetrahydrate
PubChem CID164522068
Molecular FormulaC10H32N2O8
Molecular Weight308.37 g/mol
Exact Mass308.22
IUPAC Namediazanium;decanedioate;tetrahydrate
SMILESO.O.O.O.O=C([O-])CCCCCCCCC(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C10H18O4.2H3N.4H2O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;4*1H2
InChIKeyXNHXAALRHCSTKK-UHFFFAOYSA-N
XLogP-2.94
TPSA279.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 5-2.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tridecanedioate
CID 6994474
disodium;undecanedioate
CID 15107599
dipotassium;octadecanedioate
CID 141466899
calcium decanedioate
CID 11637296
decanedioate dichloride
CID 21256251
dibismuth;tris(nonanedioate)
CID 173224370
calcium heptanedioate
CID 71587031
calcium undecanedioate
CID 140969229
copper;zinc;bis(decanedioate)
CID 24880289
azanium;heptanoate;tetrahydrate
CID 172723496
strontium hexanedioate
CID 134687758
magnesium hexanedioate
CID 24074

Frequently Asked Questions

What is the IUPAC name of diazanium;decanedioate;tetrahydrate?
The IUPAC name of diazanium;decanedioate;tetrahydrate (CID 164522068) is diazanium;decanedioate;tetrahydrate.
What is the SMILES notation for diazanium;decanedioate;tetrahydrate?
The canonical SMILES for diazanium;decanedioate;tetrahydrate is O.O.O.O.O=C([O-])CCCCCCCCC(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;decanedioate;tetrahydrate?
The InChIKey is XNHXAALRHCSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.2H3N.4H2O/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;4*1H2.
What are the key properties of diazanium;decanedioate;tetrahydrate?
diazanium;decanedioate;tetrahydrate has a molecular weight of 308.37 g/mol, XLogP of -2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;decanedioate;tetrahydrate is sourced from PubChem (CID 164522068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).