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

C25H48O14 — CID 174624671

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

bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) (PubChem CID 174624671) has the molecular formula C25H48O14 and a molecular weight of 572.65 g/mol. Its IUPAC name is bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid).

Molecular Properties

• Compound Name: bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)
• PubChem CID: 174624671
• Molecular Formula: C25H48O14
• Molecular Weight: 572.65 g/mol
• Exact Mass: 572.30
• IUPAC Name: bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)
• SMILES: C=C(C)C(=O)O.C=C(C)C(=O)O.CC=C(C)C(=O)O.OCCOCCOCCO.OCCOCCOCCO
• InChI: InChI=1S/2C6H14O4.C5H8O2.2C4H6O2/c2*7-1-3-9-5-6-10-4-2-8;1-3-4(2)5(6)7;2*1-3(2)4(5)6/h2*7-8H,1-6H2;3H,1-2H3,(H,6,7);2*1H2,2H3,(H,5,6)
• InChIKey: LNMMZUHWVNDXLD-UHFFFAOYSA-N
• XLogP: 0.34
• TPSA: 229.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	572.65
LogP ≤ 5	0.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

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 bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)?

The IUPAC name of bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) (CID 174624671) is bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid).

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

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

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

The InChIKey is LNMMZUHWVNDXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O4.C5H8O2.2C4H6O2/c2*7-1-3-9-5-6-10-4-2-8;1-3-4(2)5(6)7;2*1-3(2)4(5)6/h2*7-8H,1-6H2;3H,1-2H3,(H,6,7);2*1H2,2H3,(H,5,6).

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

bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) has a molecular weight of 572.65 g/mol, XLogP of 0.34, 17 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[2-(2-hydroxyethoxy)ethoxy]ethanol);2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 174624671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).