2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol

C10H26O8 — CID 161125126

About 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol

2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol (PubChem CID 161125126) has the molecular formula C10H26O8 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol.

Molecular Properties

• Compound Name: 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol
• PubChem CID: 161125126
• Molecular Formula: C10H26O8
• Molecular Weight: 274.31 g/mol
• Exact Mass: 274.16
• IUPAC Name: 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol
• SMILES: OCC(O)CO.OCCCO.OCCOCCO
• InChI: InChI=1S/C4H10O3.C3H8O3.C3H8O2/c5-1-3-7-4-2-6;4-1-3(6)2-5;4-2-1-3-5/h5-6H,1-4H2;3-6H,1-2H2;4-5H,1-3H2
• InChIKey: ULLQLKXUHBTTDS-UHFFFAOYSA-N
• XLogP: -3.32
• TPSA: 150.84 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	274.31
LogP ≤ 5	-3.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol?

The IUPAC name of 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol (CID 161125126) is 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol.

What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol?

The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol is OCC(O)CO.OCCCO.OCCOCCO.

What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol?

The InChIKey is ULLQLKXUHBTTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H8O3.C3H8O2/c5-1-3-7-4-2-6;4-1-3(6)2-5;4-2-1-3-5/h5-6H,1-4H2;3-6H,1-2H2;4-5H,1-3H2.

What are the key properties of 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol?

2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol has a molecular weight of 274.31 g/mol, XLogP of -3.32, 8 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethoxy)ethanol;propane-1,3-diol;propane-1,2,3-triol is sourced from PubChem (CID 161125126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).