2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol

C41H78N6O26S — CID 157133656

About 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol

2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol (PubChem CID 157133656) has the molecular formula C41H78N6O26S and a molecular weight of 1103.16 g/mol. Its IUPAC name is 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol.

Molecular Properties

• Compound Name: 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol
• PubChem CID: 157133656
• Molecular Formula: C41H78N6O26S
• Molecular Weight: 1103.16 g/mol
• Exact Mass: 1102.47
• IUPAC Name: 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol
• SMILES: CCC(=O)OC.COC(=O)COCCN=[N+]=[N-].COC(=O)COCCO.COC(=O)COCCOC1CCCCO1.COC(=O)COCCOS(C)(=O)=O.OCCOC1CCCCO1.[N-]=[N+]=NCCOCC(=O)O
• InChI: InChI=1S/C10H18O5.C7H14O3.C6H12O6S.C5H9N3O3.C5H10O4.C4H7N3O3.C4H8O2/c1-12-9(11)8-13-6-7-15-10-4-2-3-5-14-10;8-4-6-10-7-3-1-2-5-9-7;1-10-6(7)5-11-3-4-12-13(2,8)9;1-10-5(9)4-11-3-2-7-8-6;1-8-5(7)4-9-3-2-6;5-7-6-1-2-10-3-4(8)9;1-3-4(5)6-2/h10H,2-8H2,1H3;7-8H,1-6H2;3-5H2,1-2H3;2-4H2,1H3;6H,2-4H2,1H3;1-3H2,(H,8,9);3H2,1-2H3
• InChIKey: AJJCVKBGHWIYLD-UHFFFAOYSA-N
• XLogP: 1.02
• TPSA: 433.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 30
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.16
LogP ≤ 5	1.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', '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'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol?

The IUPAC name of 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol (CID 157133656) is 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol.

What is the SMILES notation for 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol?

The canonical SMILES for 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol is CCC(=O)OC.COC(=O)COCCN=[N+]=[N-].COC(=O)COCCO.COC(=O)COCCOC1CCCCO1.COC(=O)COCCOS(C)(=O)=O.OCCOC1CCCCO1.[N-]=[N+]=NCCOCC(=O)O.

What is the InChIKey of 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol?

The InChIKey is AJJCVKBGHWIYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5.C7H14O3.C6H12O6S.C5H9N3O3.C5H10O4.C4H7N3O3.C4H8O2/c1-12-9(11)8-13-6-7-15-10-4-2-3-5-14-10;8-4-6-10-7-3-1-2-5-9-7;1-10-6(7)5-11-3-4-12-13(2,8)9;1-10-5(9)4-11-3-2-7-8-6;1-8-5(7)4-9-3-2-6;5-7-6-1-2-10-3-4(8)9;1-3-4(5)6-2/h10H,2-8H2,1H3;7-8H,1-6H2;3-5H2,1-2H3;2-4H2,1H3;6H,2-4H2,1H3;1-3H2,(H,8,9);3H2,1-2H3.

What are the key properties of 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol?

2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol has a molecular weight of 1103.16 g/mol, XLogP of 1.02, 30 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-azidoethoxy)acetic acid;methyl 2-(2-azidoethoxy)acetate;methyl 2-(2-hydroxyethoxy)acetate;methyl 2-(2-methylsulfonyloxyethoxy)acetate;methyl 2-[2-(oxan-2-yloxy)ethoxy]acetate;methyl propanoate;2-(oxan-2-yloxy)ethanol is sourced from PubChem (CID 157133656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).