diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate

C28H48N4O10 — CID 158862163

About diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate

diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate (PubChem CID 158862163) has the molecular formula C28H48N4O10 and a molecular weight of 600.71 g/mol. Its IUPAC name is diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate.

Molecular Properties

• Compound Name: diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate
• PubChem CID: 158862163
• Molecular Formula: C28H48N4O10
• Molecular Weight: 600.71 g/mol
• Exact Mass: 600.34
• IUPAC Name: diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate
• SMILES: C#CCOCCOCCOCCN.C#CCOCCOCCOCCN1C(=O)c2ccccc2C1=O.CCO.O.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C17H19NO5.C9H17NO3.C2H6O.H2N2.H2O.H2/c1-2-8-21-10-12-23-13-11-22-9-7-18-16(19)14-5-3-4-6-15(14)17(18)20;1-2-4-11-6-8-13-9-7-12-5-3-10;1-2-3;1-2;;/h1,3-6H,7-13H2;1H,3-10H2;3H,2H2,1H3;1-2H;1H2;1H/b;;;2-1+
• InChIKey: DXXRXQJLZBYAPF-LVOIGFPFSA-N
• XLogP: 0.61
• TPSA: 218.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.71
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate?

The IUPAC name of diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate (CID 158862163) is diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate.

What is the SMILES notation for diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate?

The canonical SMILES for diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate is C#CCOCCOCCOCCN.C#CCOCCOCCOCCN1C(=O)c2ccccc2C1=O.CCO.O.[H]/N=N/[H].[H][H].

What is the InChIKey of diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate?

The InChIKey is DXXRXQJLZBYAPF-LVOIGFPFSA-N. The full InChI is InChI=1S/C17H19NO5.C9H17NO3.C2H6O.H2N2.H2O.H2/c1-2-8-21-10-12-23-13-11-22-9-7-18-16(19)14-5-3-4-6-15(14)17(18)20;1-2-4-11-6-8-13-9-7-12-5-3-10;1-2-3;1-2;;/h1,3-6H,7-13H2;1H,3-10H2;3H,2H2,1H3;1-2H;1H2;1H/b;;;2-1+;;.

What are the key properties of diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate?

diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate has a molecular weight of 600.71 g/mol, XLogP of 0.61, 19 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for diazene;ethanol;molecular hydrogen;2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanamine;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]isoindole-1,3-dione;hydrate is sourced from PubChem (CID 158862163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).