2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol

C15H32O8 — CID 118488809

About 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol

2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol (PubChem CID 118488809) has the molecular formula C15H32O8 and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol.

Molecular Properties

• Compound Name: 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol
• PubChem CID: 118488809
• Molecular Formula: C15H32O8
• Molecular Weight: 340.41 g/mol
• Exact Mass: 340.21
• IUPAC Name: 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol
• SMILES: COCC(C)OCC(COO)(COC(C)CO)COC(C)CO
• InChI: InChI=1S/C15H32O8/c1-12(5-16)20-8-15(11-23-18,9-21-13(2)6-17)10-22-14(3)7-19-4/h12-14,16-18H,5-11H2,1-4H3
• InChIKey: NLDIECVEJWGEPI-UHFFFAOYSA-N
• XLogP: 0.31
• TPSA: 106.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.41
LogP ≤ 5	0.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol?

The IUPAC name of 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol (CID 118488809) is 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol.

What is the SMILES notation for 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol?

The canonical SMILES for 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol is COCC(C)OCC(COO)(COC(C)CO)COC(C)CO.

What is the InChIKey of 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol?

The InChIKey is NLDIECVEJWGEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O8/c1-12(5-16)20-8-15(11-23-18,9-21-13(2)6-17)10-22-14(3)7-19-4/h12-14,16-18H,5-11H2,1-4H3.

What are the key properties of 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol?

2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol has a molecular weight of 340.41 g/mol, XLogP of 0.31, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(hydroperoxymethyl)-2-(1-hydroxypropan-2-yloxymethyl)-3-(1-methoxypropan-2-yloxy)propoxy]propan-1-ol is sourced from PubChem (CID 118488809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).