ethoxyethane;terbium(3+);trinitrate

C4H10N3O10Tb — CID 158858689

IUPACethoxyethane;terbium(3+);trinitrate
SMILESCCOCC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb+3]
InChIInChI=1S/C4H10O.3NO3.Tb/c1-3-5-4-2;3*2-1(3)4;/h3-4H2,1-2H3;;;;/q;3*-1;+3
InChIKeyCBTMUCSPZRANJY-UHFFFAOYSA-N
MW419.06 g/mol
LogP0.33
Rot. Bonds2

About ethoxyethane;terbium(3+);trinitrate

ethoxyethane;terbium(3+);trinitrate (PubChem CID 158858689) has the molecular formula C4H10N3O10Tb and a molecular weight of 419.06 g/mol. Its IUPAC name is ethoxyethane;terbium(3+);trinitrate.

Molecular Properties

Compound Nameethoxyethane;terbium(3+);trinitrate
PubChem CID158858689
Molecular FormulaC4H10N3O10Tb
Molecular Weight419.06 g/mol
Exact Mass418.96
IUPAC Nameethoxyethane;terbium(3+);trinitrate
SMILESCCOCC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb+3]
InChIInChI=1S/C4H10O.3NO3.Tb/c1-3-5-4-2;3*2-1(3)4;/h3-4H2,1-2H3;;;;/q;3*-1;+3
InChIKeyCBTMUCSPZRANJY-UHFFFAOYSA-N
XLogP0.33
TPSA207.83 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.06
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;terbium(3+);trinitrate?
The IUPAC name of ethoxyethane;terbium(3+);trinitrate (CID 158858689) is ethoxyethane;terbium(3+);trinitrate.
What is the SMILES notation for ethoxyethane;terbium(3+);trinitrate?
The canonical SMILES for ethoxyethane;terbium(3+);trinitrate is CCOCC.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Tb+3].
What is the InChIKey of ethoxyethane;terbium(3+);trinitrate?
The InChIKey is CBTMUCSPZRANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.3NO3.Tb/c1-3-5-4-2;3*2-1(3)4;/h3-4H2,1-2H3;;;;/q;3*-1;+3.
What are the key properties of ethoxyethane;terbium(3+);trinitrate?
ethoxyethane;terbium(3+);trinitrate has a molecular weight of 419.06 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;terbium(3+);trinitrate is sourced from PubChem (CID 158858689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).