2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C29H58O10 — CID 168787558

About 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 168787558) has the molecular formula C29H58O10 and a molecular weight of 566.77 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• PubChem CID: 168787558
• Molecular Formula: C29H58O10
• Molecular Weight: 566.77 g/mol
• Exact Mass: 566.40
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
• SMILES: CCCCCCCCCCCC1OCC(OCCOCCOCCOCCOCCOCCOCCO)CO1
• InChI: InChI=1S/C29H58O10/c1-2-3-4-5-6-7-8-9-10-11-29-38-26-28(27-39-29)37-25-24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30/h28-30H,2-27H2,1H3
• InChIKey: IMIBRCWQVNBXSJ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 31
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.77
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	1
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-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 168787558) is 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CCCCCCCCCCCC1OCC(OCCOCCOCCOCCOCCOCCOCCO)CO1.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

The InChIKey is IMIBRCWQVNBXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58O10/c1-2-3-4-5-6-7-8-9-10-11-29-38-26-28(27-39-29)37-25-24-36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30/h28-30H,2-27H2,1H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 566.77 g/mol, XLogP of 3.76, 31 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[(2-undecyl-1,3-dioxan-5-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 168787558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).