acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid

C18H36O13 — CID 175016263

About acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid

acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid (PubChem CID 175016263) has the molecular formula C18H36O13 and a molecular weight of 460.47 g/mol. Its IUPAC name is acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid.

Molecular Properties

• Compound Name: acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
• PubChem CID: 175016263
• Molecular Formula: C18H36O13
• Molecular Weight: 460.47 g/mol
• Exact Mass: 460.22
• IUPAC Name: acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
• SMILES: C=C(C)C(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCCOCCOCCOCCO
• InChI: InChI=1S/C8H18O5.C4H6O2.3C2H4O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3(2)4(5)6;3*1-2(3)4/h9-10H,1-8H2;1H2,2H3,(H,5,6);3*1H3,(H,3,4)
• InChIKey: RBWLSZVJRLXQFL-UHFFFAOYSA-N
• XLogP: -0.06
• TPSA: 217.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.47
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid?

The IUPAC name of acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid (CID 175016263) is acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid.

What is the SMILES notation for acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid?

The canonical SMILES for acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.OCCOCCOCCOCCO.

What is the InChIKey of acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid?

The InChIKey is RBWLSZVJRLXQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.C4H6O2.3C2H4O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3(2)4(5)6;3*1-2(3)4/h9-10H,1-8H2;1H2,2H3,(H,5,6);3*1H3,(H,3,4).

What are the key properties of acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid?

acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid has a molecular weight of 460.47 g/mol, XLogP of -0.06, 11 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid is sourced from PubChem (CID 175016263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).