2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid

C20H40O12 — CID 87255416

About 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid (PubChem CID 87255416) has the molecular formula C20H40O12 and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
• PubChem CID: 87255416
• Molecular Formula: C20H40O12
• Molecular Weight: 472.53 g/mol
• Exact Mass: 472.25
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
• SMILES: C=CC(=O)O.COC(O)COCCOCCOCCOCCOCCOCCOCCO
• InChI: InChI=1S/C17H36O10.C3H4O2/c1-20-17(19)16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-18;1-2-3(4)5/h17-19H,2-16H2,1H3;2H,1H2,(H,4,5)
• InChIKey: SIIHPBVFDNFNLE-UHFFFAOYSA-N
• XLogP: -0.68
• TPSA: 151.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 24
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.53
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid (CID 87255416) is 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid is C=CC(=O)O.COC(O)COCCOCCOCCOCCOCCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?

The InChIKey is SIIHPBVFDNFNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O10.C3H4O2/c1-20-17(19)16-27-15-14-26-13-12-25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-18;1-2-3(4)5/h17-19H,2-16H2,1H3;2H,1H2,(H,4,5).

What are the key properties of 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid?

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid has a molecular weight of 472.53 g/mol, XLogP of -0.68, 24 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid is sourced from PubChem (CID 87255416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).