[3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol

C20H38O8 — CID 139877801

About [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol

[3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol (PubChem CID 139877801) has the molecular formula C20H38O8 and a molecular weight of 406.52 g/mol. Its IUPAC name is [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol.

Molecular Properties

• Compound Name: [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol
• PubChem CID: 139877801
• Molecular Formula: C20H38O8
• Molecular Weight: 406.52 g/mol
• Exact Mass: 406.26
• IUPAC Name: [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol
• SMILES: CCC1(CO)COC1COCCOCCOCCOCC1OCC1(CC)CO
• InChI: InChI=1S/C20H38O8/c1-3-19(13-21)15-27-17(19)11-25-9-7-23-5-6-24-8-10-26-12-18-20(4-2,14-22)16-28-18/h17-18,21-22H,3-16H2,1-2H3
• InChIKey: NXPGEWVZKRMSCB-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 95.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.52
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol?

The IUPAC name of [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol (CID 139877801) is [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol.

What is the SMILES notation for [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol?

The canonical SMILES for [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol is CCC1(CO)COC1COCCOCCOCCOCC1OCC1(CC)CO.

What is the InChIKey of [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol?

The InChIKey is NXPGEWVZKRMSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O8/c1-3-19(13-21)15-27-17(19)11-25-9-7-23-5-6-24-8-10-26-12-18-20(4-2,14-22)16-28-18/h17-18,21-22H,3-16H2,1-2H3.

What are the key properties of [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol?

[3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol has a molecular weight of 406.52 g/mol, XLogP of 0.63, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-ethyl-2-[2-[2-[2-[[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]oxetan-3-yl]methanol is sourced from PubChem (CID 139877801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).