6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)

C14H30O7Y4 — CID 155647288

About 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)

6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium) (PubChem CID 155647288) has the molecular formula C14H30O7Y4 and a molecular weight of 666.01 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium).

Molecular Properties

• Compound Name: 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)
• PubChem CID: 155647288
• Molecular Formula: C14H30O7Y4
• Molecular Weight: 666.01 g/mol
• Exact Mass: 665.82
• IUPAC Name: 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)
• SMILES: OCCCCC(COCCO)(COCCO)COCCO.[Y].[Y].[Y].[Y]
• InChI: InChI=1S/C14H30O7.4Y/c15-4-2-1-3-14(11-19-8-5-16,12-20-9-6-17)13-21-10-7-18;;;;/h15-18H,1-13H2
• InChIKey: IHFLVXFPIGJZST-UHFFFAOYSA-N
• XLogP: -0.85
• TPSA: 108.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	666.01
LogP ≤ 5	-0.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)?

The IUPAC name of 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium) (CID 155647288) is 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium).

What is the SMILES notation for 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)?

The canonical SMILES for 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium) is OCCCCC(COCCO)(COCCO)COCCO.[Y].[Y].[Y].[Y].

What is the InChIKey of 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)?

The InChIKey is IHFLVXFPIGJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O7.4Y/c15-4-2-1-3-14(11-19-8-5-16,12-20-9-6-17)13-21-10-7-18;;;;/h15-18H,1-13H2;;;;.

What are the key properties of 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium)?

6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium) has a molecular weight of 666.01 g/mol, XLogP of -0.85, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydroxyethoxy)-5,5-bis(2-hydroxyethoxymethyl)hexan-1-ol;tetrakis(yttrium) is sourced from PubChem (CID 155647288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).