ethoxyethane;nitroso nitrate;ruthenium

C4H10N2O5Ru — CID 158137978

IUPACethoxyethane;nitroso nitrate;ruthenium
SMILESCCOCC.O=NO[N+](=O)[O-].[Ru]
InChIInChI=1S/C4H10O.N2O4.Ru/c1-3-5-4-2;3-1-6-2(4)5;/h3-4H2,1-2H3;;
InChIKeyFTOVVAILFPXDLK-UHFFFAOYSA-N
MW267.20 g/mol
LogP0.92
Rot. Bonds4

About ethoxyethane;nitroso nitrate;ruthenium

ethoxyethane;nitroso nitrate;ruthenium (PubChem CID 158137978) has the molecular formula C4H10N2O5Ru and a molecular weight of 267.20 g/mol. Its IUPAC name is ethoxyethane;nitroso nitrate;ruthenium.

Molecular Properties

Compound Nameethoxyethane;nitroso nitrate;ruthenium
PubChem CID158137978
Molecular FormulaC4H10N2O5Ru
Molecular Weight267.20 g/mol
Exact Mass267.96
IUPAC Nameethoxyethane;nitroso nitrate;ruthenium
SMILESCCOCC.O=NO[N+](=O)[O-].[Ru]
InChIInChI=1S/C4H10O.N2O4.Ru/c1-3-5-4-2;3-1-6-2(4)5;/h3-4H2,1-2H3;;
InChIKeyFTOVVAILFPXDLK-UHFFFAOYSA-N
XLogP0.92
TPSA91.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

CID 87118560
CID 87118560
CID 87816665
CID 87816665
CID 87921918
CID 87921918
CID 156413786
CID 156413786
CID 158858689
CID 158858689
CID 161567394
CID 161567394
CID 175592550
CID 175592550
CID 18678140
CID 18678140
CID 22648344
CID 22648344

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;nitroso nitrate;ruthenium?
The IUPAC name of ethoxyethane;nitroso nitrate;ruthenium (CID 158137978) is ethoxyethane;nitroso nitrate;ruthenium.
What is the SMILES notation for ethoxyethane;nitroso nitrate;ruthenium?
The canonical SMILES for ethoxyethane;nitroso nitrate;ruthenium is CCOCC.O=NO[N+](=O)[O-].[Ru].
What is the InChIKey of ethoxyethane;nitroso nitrate;ruthenium?
The InChIKey is FTOVVAILFPXDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.N2O4.Ru/c1-3-5-4-2;3-1-6-2(4)5;/h3-4H2,1-2H3;;.
What are the key properties of ethoxyethane;nitroso nitrate;ruthenium?
ethoxyethane;nitroso nitrate;ruthenium has a molecular weight of 267.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;nitroso nitrate;ruthenium is sourced from PubChem (CID 158137978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).