1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane

C27H60O9 — CID 175360949

About 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane

1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane (PubChem CID 175360949) has the molecular formula C27H60O9 and a molecular weight of 528.77 g/mol. Its IUPAC name is 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane.

Molecular Properties

• Compound Name: 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
• PubChem CID: 175360949
• Molecular Formula: C27H60O9
• Molecular Weight: 528.77 g/mol
• Exact Mass: 528.42
• IUPAC Name: 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane
• SMILES: CCCCCCOC.CCCCOCCOCCOCCCC.OCCOCCOCCOCCO
• InChI: InChI=1S/C12H26O3.C8H18O5.C7H16O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-4-5-6-7-8-2/h3-12H2,1-2H3;9-10H,1-8H2;3-7H2,1-2H3
• InChIKey: YWJKOYSZUINHKM-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.77
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane?

The IUPAC name of 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane (CID 175360949) is 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane.

What is the SMILES notation for 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane?

The canonical SMILES for 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane is CCCCCCOC.CCCCOCCOCCOCCCC.OCCOCCOCCOCCO.

What is the InChIKey of 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane?

The InChIKey is YWJKOYSZUINHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3.C8H18O5.C7H16O/c1-3-5-7-13-9-11-15-12-10-14-8-6-4-2;9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-4-5-6-7-8-2/h3-12H2,1-2H3;9-10H,1-8H2;3-7H2,1-2H3.

What are the key properties of 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane?

1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane has a molecular weight of 528.77 g/mol, XLogP of 3.87, 27 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-butoxyethoxy)ethoxy]butane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-methoxyhexane is sourced from PubChem (CID 175360949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).