2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

C20H36O11 — CID 173303498

About 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (PubChem CID 173303498) has the molecular formula C20H36O11 and a molecular weight of 452.50 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).

Molecular Properties

• Compound Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
• PubChem CID: 173303498
• Molecular Formula: C20H36O11
• Molecular Weight: 452.50 g/mol
• Exact Mass: 452.23
• IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OCCO.OCCOCCOCCO
• InChI: InChI=1S/C6H14O4.C6H10O3.2C4H6O2/c7-1-3-9-5-6-10-4-2-8;1-5(2)6(8)9-4-3-7;2*1-3(2)4(5)6/h7-8H,1-6H2;7H,1,3-4H2,2H3;2*1H2,2H3,(H,5,6)
• InChIKey: HZBASTPYCCUWLZ-UHFFFAOYSA-N
• XLogP: 0.40
• TPSA: 180.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.50
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	5
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 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)?

The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) (CID 173303498) is 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid).

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

The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)OCCO.OCCOCCOCCO.

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

The InChIKey is HZBASTPYCCUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C6H10O3.2C4H6O2/c7-1-3-9-5-6-10-4-2-8;1-5(2)6(8)9-4-3-7;2*1-3(2)4(5)6/h7-8H,1-6H2;7H,1,3-4H2,2H3;2*1H2,2H3,(H,5,6).

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

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) has a molecular weight of 452.50 g/mol, XLogP of 0.40, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 173303498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).