2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

C20H44O10 — CID 22051709

About 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 22051709) has the molecular formula C20H44O10 and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 22051709
• Molecular Formula: C20H44O10
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.29
• IUPAC Name: 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CC(O)COC(C)COC(C)CO.COCCOCCOCCOCCOCCO
• InChI: InChI=1S/C11H24O6.C9H20O4/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12;1-7(11)5-12-9(3)6-13-8(2)4-10/h12H,2-11H2,1H3;7-11H,4-6H2,1-3H3
• InChIKey: QXEZEHZTTZAUBA-UHFFFAOYSA-N
• XLogP: -0.14
• TPSA: 125.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	-0.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol (CID 22051709) is 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is CC(O)COC(C)COC(C)CO.COCCOCCOCCOCCOCCO.

What is the InChIKey of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is QXEZEHZTTZAUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O6.C9H20O4/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12;1-7(11)5-12-9(3)6-13-8(2)4-10/h12H,2-11H2,1H3;7-11H,4-6H2,1-3H3.

What are the key properties of 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol?

2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 444.56 g/mol, XLogP of -0.14, 21 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 22051709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).