1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol

C8H18O5 — CID 162642367

About 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol

1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol (PubChem CID 162642367) has the molecular formula C8H18O5 and a molecular weight of 202.28 g/mol. Its IUPAC name is 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol
• PubChem CID: 162642367
• Molecular Formula: C8H18O5
• Molecular Weight: 202.28 g/mol
• Exact Mass: 202.17
• IUPAC Name: 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol
• SMILES: [2H]C([2H])(O)C([2H])([2H])OCCOCCOC([2H])([2H])C([2H])([2H])O
• InChI: InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2/i1D2,2D2,3D2,4D2
• InChIKey: UWHCKJMYHZGTIT-SVYQBANQSA-N
• XLogP: -0.98
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	202.28
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

The IUPAC name of 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol (CID 162642367) is 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol.

What is the SMILES notation for 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

The canonical SMILES for 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol is [2H]C([2H])(O)C([2H])([2H])OCCOCCOC([2H])([2H])C([2H])([2H])O.

What is the InChIKey of 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

The InChIKey is UWHCKJMYHZGTIT-SVYQBANQSA-N. The full InChI is InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2/i1D2,2D2,3D2,4D2.

What are the key properties of 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol?

1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol has a molecular weight of 202.28 g/mol, XLogP of -0.98, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2-tetradeuterio-2-[2-[2-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 162642367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).