ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)

C23H44O13 — CID 174938125

About ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)

ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) (PubChem CID 174938125) has the molecular formula C23H44O13 and a molecular weight of 528.59 g/mol. Its IUPAC name is ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid).

Molecular Properties

• Compound Name: ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)
• PubChem CID: 174938125
• Molecular Formula: C23H44O13
• Molecular Weight: 528.59 g/mol
• Exact Mass: 528.28
• IUPAC Name: ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]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.OCCO.OCCOCCOCCOCCO
• InChI: InChI=1S/C8H18O5.C5H8O2.2C4H6O2.C2H6O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-4(2)5(6)7;2*1-3(2)4(5)6;3-1-2-4/h9-10H,1-8H2;3H,1-2H3,(H,6,7);2*1H2,2H3,(H,5,6);3-4H,1-2H2
• InChIKey: HXRXQIDFOOKHOQ-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 220.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.59
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	10

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 ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)?

The IUPAC name of ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) (CID 174938125) is ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid).

What is the SMILES notation for ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)?

The canonical SMILES for ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]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.OCCO.OCCOCCOCCOCCO.

What is the InChIKey of ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)?

The InChIKey is HXRXQIDFOOKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5.C5H8O2.2C4H6O2.C2H6O2/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-3-4(2)5(6)7;2*1-3(2)4(5)6;3-1-2-4/h9-10H,1-8H2;3H,1-2H3,(H,6,7);2*1H2,2H3,(H,5,6);3-4H,1-2H2.

What are the key properties of ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid)?

ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) has a molecular weight of 528.59 g/mol, XLogP of 0.32, 14 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane-1,2-diol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylbut-2-enoic acid;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 174938125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).