dipotassium;1-azido-2-methoxyethane;hydride;oxido formate

C4H9K2N3O4 — CID 162049081

IUPACdipotassium;1-azido-2-methoxyethane;hydride;oxido formate
SMILESCOCCN=[N+]=[N-].O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C3H7N3O.CH2O3.2K.H/c1-7-3-2-5-6-4;2-1-4-3;;;/h2-3H2,1H3;1,3H;;;/q;;2*+1;-1/p-1
InChIKeyJLMPLNLUHUOKOP-UHFFFAOYSA-M
MW241.33 g/mol
LogP-6.50
Rot. Bonds4

About dipotassium;1-azido-2-methoxyethane;hydride;oxido formate

dipotassium;1-azido-2-methoxyethane;hydride;oxido formate (PubChem CID 162049081) has the molecular formula C4H9K2N3O4 and a molecular weight of 241.33 g/mol. Its IUPAC name is dipotassium;1-azido-2-methoxyethane;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;1-azido-2-methoxyethane;hydride;oxido formate
PubChem CID162049081
Molecular FormulaC4H9K2N3O4
Molecular Weight241.33 g/mol
Exact Mass240.99
IUPAC Namedipotassium;1-azido-2-methoxyethane;hydride;oxido formate
SMILESCOCCN=[N+]=[N-].O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C3H7N3O.CH2O3.2K.H/c1-7-3-2-5-6-4;2-1-4-3;;;/h2-3H2,1H3;1,3H;;;/q;;2*+1;-1/p-1
InChIKeyJLMPLNLUHUOKOP-UHFFFAOYSA-M
XLogP-6.50
TPSA107.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-6.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-azido-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane;carbon dioxide
CID 158766699
2-(2-azidoethoxy)acetaldehyde
CID 123518154
2,2-bis(2-azidoethoxy)propane
CID 123614719
1-azido-3-(2-methoxyethylsulfonyl)propane
CID 61396911
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
CID 90113006
1-azido-2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 151612117
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 89142386
methyl 2-[2-(2-azidoethoxy)ethoxy]acetate
CID 16723228
N-(2-azidoethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 61452045

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-azido-2-methoxyethane;hydride;oxido formate?
The IUPAC name of dipotassium;1-azido-2-methoxyethane;hydride;oxido formate (CID 162049081) is dipotassium;1-azido-2-methoxyethane;hydride;oxido formate.
What is the SMILES notation for dipotassium;1-azido-2-methoxyethane;hydride;oxido formate?
The canonical SMILES for dipotassium;1-azido-2-methoxyethane;hydride;oxido formate is COCCN=[N+]=[N-].O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-azido-2-methoxyethane;hydride;oxido formate?
The InChIKey is JLMPLNLUHUOKOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7N3O.CH2O3.2K.H/c1-7-3-2-5-6-4;2-1-4-3;;;/h2-3H2,1H3;1,3H;;;/q;;2*+1;-1/p-1.
What are the key properties of dipotassium;1-azido-2-methoxyethane;hydride;oxido formate?
dipotassium;1-azido-2-methoxyethane;hydride;oxido formate has a molecular weight of 241.33 g/mol, XLogP of -6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-azido-2-methoxyethane;hydride;oxido formate is sourced from PubChem (CID 162049081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).