3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid

C13H24O6 — CID 150661737

About 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid

3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid (PubChem CID 150661737) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid
• PubChem CID: 150661737
• Molecular Formula: C13H24O6
• Molecular Weight: 276.33 g/mol
• Exact Mass: 276.16
• IUPAC Name: 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid
• SMILES: CC(C)(C)OC(=O)C(C)(C)OCCOCCC(=O)O
• InChI: InChI=1S/C13H24O6/c1-12(2,3)19-11(16)13(4,5)18-9-8-17-7-6-10(14)15/h6-9H2,1-5H3,(H,14,15)
• InChIKey: JEAGVKMLBVMRND-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.33
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
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 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid?

The IUPAC name of 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid (CID 150661737) is 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid.

What is the SMILES notation for 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid?

The canonical SMILES for 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid is CC(C)(C)OC(=O)C(C)(C)OCCOCCC(=O)O.

What is the InChIKey of 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid?

The InChIKey is JEAGVKMLBVMRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-12(2,3)19-11(16)13(4,5)18-9-8-17-7-6-10(14)15/h6-9H2,1-5H3,(H,14,15).

What are the key properties of 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid?

3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid has a molecular weight of 276.33 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyethoxy]propanoic acid is sourced from PubChem (CID 150661737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).