2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol

C20H42O13 — CID 87459914

About 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol

2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol (PubChem CID 87459914) has the molecular formula C20H42O13 and a molecular weight of 490.54 g/mol. Its IUPAC name is 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol
• PubChem CID: 87459914
• Molecular Formula: C20H42O13
• Molecular Weight: 490.54 g/mol
• Exact Mass: 490.26
• IUPAC Name: 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol
• SMILES: CC(C)COCCOCCOCCO.O=C(O)CC(O)C(=O)O.OCCOCCOCCO
• InChI: InChI=1S/C10H22O4.C6H14O4.C4H6O5/c1-10(2)9-14-8-7-13-6-5-12-4-3-11;7-1-3-9-5-6-10-4-2-8;5-2(4(8)9)1-3(6)7/h10-11H,3-9H2,1-2H3;7-8H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9)
• InChIKey: SGNBZTSPSDPELB-UHFFFAOYSA-N
• XLogP: -1.40
• TPSA: 201.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	490.54
LogP ≤ 5	-1.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol?

The IUPAC name of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol (CID 87459914) is 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol is CC(C)COCCOCCOCCO.O=C(O)CC(O)C(=O)O.OCCOCCOCCO.

What is the InChIKey of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol?

The InChIKey is SGNBZTSPSDPELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C6H14O4.C4H6O5/c1-10(2)9-14-8-7-13-6-5-12-4-3-11;7-1-3-9-5-6-10-4-2-8;5-2(4(8)9)1-3(6)7/h10-11H,3-9H2,1-2H3;7-8H,1-6H2;2,5H,1H2,(H,6,7)(H,8,9).

What are the key properties of 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol?

2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol has a molecular weight of 490.54 g/mol, XLogP of -1.40, 20 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 87459914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).