About bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol
bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol (PubChem CID 160640693) has the molecular formula C24H55Cl2N9O10S
and a molecular weight of 732.73 g/mol. Its IUPAC name is bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol.
Molecular Properties
| Compound Name | bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol |
|---|
| PubChem CID | 160640693 |
|---|
| Molecular Formula | C24H55Cl2N9O10S |
|---|
| Molecular Weight | 732.73 g/mol |
|---|
| Exact Mass | 731.32 |
|---|
| IUPAC Name | bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol |
|---|
| SMILES | CCCCC.CCCOCCO.CS(=O)(=O)OCCOCCN=[N+]=[N-].ClCCl.[N-]=[N+]=NCCOCCO.[N-]=[N+]=NCCOCCO |
|---|
| InChI | InChI=1S/C5H11N3O4S.C5H12O2.C5H12.2C4H9N3O2.CH2Cl2/c1-13(9,10)12-5-4-11-3-2-7-8-6;1-2-4-7-5-3-6;1-3-5-4-2;2*5-7-6-1-3-9-4-2-8;2-1-3/h2-5H2,1H3;6H,2-5H2,1H3;3-5H2,1-2H3;2*8H,1-4H2;1H2 |
|---|
| InChIKey | RJDBGHKSAMXNDC-UHFFFAOYSA-N |
|---|
| XLogP | 4.92 |
|---|
| TPSA | 287.26 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 13 |
|---|
| Rotatable Bonds | 23 |
|---|
| Heavy Atoms | 46 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 732.73 |
| LogP ≤ 5 | 4.92 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'} |
|---|
Analyze bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol?
The IUPAC name of bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol (CID 160640693) is bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol.
What is the SMILES notation for bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol?
The canonical SMILES for bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol is CCCCC.CCCOCCO.CS(=O)(=O)OCCOCCN=[N+]=[N-].ClCCl.[N-]=[N+]=NCCOCCO.[N-]=[N+]=NCCOCCO.
What is the InChIKey of bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol?
The InChIKey is RJDBGHKSAMXNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O4S.C5H12O2.C5H12.2C4H9N3O2.CH2Cl2/c1-13(9,10)12-5-4-11-3-2-7-8-6;1-2-4-7-5-3-6;1-3-5-4-2;2*5-7-6-1-3-9-4-2-8;2-1-3/h2-5H2,1H3;6H,2-5H2,1H3;3-5H2,1-2H3;2*8H,1-4H2;1H2.
What are the key properties of bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol?
bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol has a molecular weight of 732.73 g/mol, XLogP of 4.92, 23 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol is sourced from PubChem (CID 160640693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).