1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C8H20N2O7 — CID 87921946

About 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol

1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 87921946) has the molecular formula C8H20N2O7 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
• PubChem CID: 87921946
• Molecular Formula: C8H20N2O7
• Molecular Weight: 256.25 g/mol
• Exact Mass: 256.13
• IUPAC Name: 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
• SMILES: NOC(O)(COCCOCCOCCO)ON
• InChI: InChI=1S/C8H20N2O7/c9-16-8(12,17-10)7-15-6-5-14-4-3-13-2-1-11/h11-12H,1-7,9-10H2
• InChIKey: DCGHNWFHPNYJCF-UHFFFAOYSA-N
• XLogP: -2.54
• TPSA: 138.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.25
LogP ≤ 5	-2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

The IUPAC name of 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 87921946) is 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

What is the SMILES notation for 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

The canonical SMILES for 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is NOC(O)(COCCOCCOCCO)ON.

What is the InChIKey of 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

The InChIKey is DCGHNWFHPNYJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O7/c9-16-8(12,17-10)7-15-6-5-14-4-3-13-2-1-11/h11-12H,1-7,9-10H2.

What are the key properties of 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 256.25 g/mol, XLogP of -2.54, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-diaminooxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87921946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).