1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene

C35H65N3O12 — CID 159203067

About 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene

1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene (PubChem CID 159203067) has the molecular formula C35H65N3O12 and a molecular weight of 719.91 g/mol. Its IUPAC name is 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene.

Molecular Properties

• Compound Name: 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene
• PubChem CID: 159203067
• Molecular Formula: C35H65N3O12
• Molecular Weight: 719.91 g/mol
• Exact Mass: 719.46
• IUPAC Name: 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene
• SMILES: CCOCCOCCOCc1c(C)cc(C)cc1C.COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
• InChI: InChI=1S/C19H39N3O9.C16H26O3/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-19-18-30-15-14-28-11-10-26-7-6-24-3-2-21-22-20;1-5-17-6-7-18-8-9-19-12-16-14(3)10-13(2)11-15(16)4/h2-19H2,1H3;10-11H,5-9,12H2,1-4H3
• InChIKey: KPNMUMWXYRQMTA-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 159.52 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 36
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.91
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
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': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene?

The IUPAC name of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene (CID 159203067) is 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene.

What is the SMILES notation for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene?

The canonical SMILES for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene is CCOCCOCCOCc1c(C)cc(C)cc1C.COCCOCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-].

What is the InChIKey of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene?

The InChIKey is KPNMUMWXYRQMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O9.C16H26O3/c1-23-4-5-25-8-9-27-12-13-29-16-17-31-19-18-30-15-14-28-11-10-26-7-6-24-3-2-21-22-20;1-5-17-6-7-18-8-9-19-12-16-14(3)10-13(2)11-15(16)4/h2-19H2,1H3;10-11H,5-9,12H2,1-4H3.

What are the key properties of 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene?

1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene has a molecular weight of 719.91 g/mol, XLogP of 4.26, 36 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-azido-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane;2-[2-(2-ethoxyethoxy)ethoxymethyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 159203067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).