1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol

C16H35NO5 — CID 22947108

About 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol

1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol (PubChem CID 22947108) has the molecular formula C16H35NO5 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol.

Molecular Properties

• Compound Name: 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol
• PubChem CID: 22947108
• Molecular Formula: C16H35NO5
• Molecular Weight: 321.46 g/mol
• Exact Mass: 321.25
• IUPAC Name: 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol
• SMILES: COCCOCC(C)OCC(C)OCC(C)N(C)CC(C)O
• InChI: InChI=1S/C16H35NO5/c1-13(17(5)9-14(2)18)10-21-16(4)12-22-15(3)11-20-8-7-19-6/h13-16,18H,7-12H2,1-6H3
• InChIKey: NQMVECXKVZIVLJ-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 60.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.46
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol?

The IUPAC name of 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol (CID 22947108) is 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol.

What is the SMILES notation for 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol?

The canonical SMILES for 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol is COCCOCC(C)OCC(C)OCC(C)N(C)CC(C)O.

What is the InChIKey of 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol?

The InChIKey is NQMVECXKVZIVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO5/c1-13(17(5)9-14(2)18)10-21-16(4)12-22-15(3)11-20-8-7-19-6/h13-16,18H,7-12H2,1-6H3.

What are the key properties of 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol?

1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol has a molecular weight of 321.46 g/mol, XLogP of 1.16, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[1-(2-methoxyethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl-methylamino]propan-2-ol is sourced from PubChem (CID 22947108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).