bis(2-(2-azidoethoxy)ethanol);2-(2-azidoethoxy)ethyl methanesulfonate;dichloromethane;pentane;2-propoxyethanol

C24H55Cl2N9O10S — CID 160640693

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'}

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).