propane-1,2-diol;yttrium(3+);trinitrate

C3H8N3O11Y — CID 172735884

IUPACpropane-1,2-diol;yttrium(3+);trinitrate
SMILESCC(O)CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Y+3]
InChIInChI=1S/C3H8O2.3NO3.Y/c1-3(5)2-4;3*2-1(3)4;/h3-5H,2H2,1H3;;;;/q;3*-1;+3
InChIKeyIKUMCWPZAPOUDW-UHFFFAOYSA-N
MW351.01 g/mol
LogP-1.36
Rot. Bonds1

About propane-1,2-diol;yttrium(3+);trinitrate

propane-1,2-diol;yttrium(3+);trinitrate (PubChem CID 172735884) has the molecular formula C3H8N3O11Y and a molecular weight of 351.01 g/mol. Its IUPAC name is propane-1,2-diol;yttrium(3+);trinitrate.

Molecular Properties

Compound Namepropane-1,2-diol;yttrium(3+);trinitrate
PubChem CID172735884
Molecular FormulaC3H8N3O11Y
Molecular Weight351.01 g/mol
Exact Mass350.92
IUPAC Namepropane-1,2-diol;yttrium(3+);trinitrate
SMILESCC(O)CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Y+3]
InChIInChI=1S/C3H8O2.3NO3.Y/c1-3(5)2-4;3*2-1(3)4;/h3-5H,2H2,1H3;;;;/q;3*-1;+3
InChIKeyIKUMCWPZAPOUDW-UHFFFAOYSA-N
XLogP-1.36
TPSA239.06 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.01
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;yttrium(3+);trinitrate?
The IUPAC name of propane-1,2-diol;yttrium(3+);trinitrate (CID 172735884) is propane-1,2-diol;yttrium(3+);trinitrate.
What is the SMILES notation for propane-1,2-diol;yttrium(3+);trinitrate?
The canonical SMILES for propane-1,2-diol;yttrium(3+);trinitrate is CC(O)CO.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Y+3].
What is the InChIKey of propane-1,2-diol;yttrium(3+);trinitrate?
The InChIKey is IKUMCWPZAPOUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.3NO3.Y/c1-3(5)2-4;3*2-1(3)4;/h3-5H,2H2,1H3;;;;/q;3*-1;+3.
What are the key properties of propane-1,2-diol;yttrium(3+);trinitrate?
propane-1,2-diol;yttrium(3+);trinitrate has a molecular weight of 351.01 g/mol, XLogP of -1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;yttrium(3+);trinitrate is sourced from PubChem (CID 172735884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).