ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol

C14H36O10 — CID 161458726

About ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol

ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol (PubChem CID 161458726) has the molecular formula C14H36O10 and a molecular weight of 364.43 g/mol. Its IUPAC name is ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol.

Molecular Properties

• Compound Name: ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol
• PubChem CID: 161458726
• Molecular Formula: C14H36O10
• Molecular Weight: 364.43 g/mol
• Exact Mass: 364.23
• IUPAC Name: ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol
• SMILES: CC(O)CO.OCCCO.OCCO.OCCOCCOCCO
• InChI: InChI=1S/C6H14O4.2C3H8O2.C2H6O2/c7-1-3-9-5-6-10-4-2-8;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h7-8H,1-6H2;3-5H,2H2,1H3;4-5H,1-3H2;3-4H,1-2H2
• InChIKey: WBMZDGHABMZJLN-UHFFFAOYSA-N
• XLogP: -3.30
• TPSA: 180.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.43
LogP ≤ 5	-3.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol?

The IUPAC name of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol (CID 161458726) is ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol.

What is the SMILES notation for ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol?

The canonical SMILES for ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol is CC(O)CO.OCCCO.OCCO.OCCOCCOCCO.

What is the InChIKey of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol?

The InChIKey is WBMZDGHABMZJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.2C3H8O2.C2H6O2/c7-1-3-9-5-6-10-4-2-8;1-3(5)2-4;4-2-1-3-5;3-1-2-4/h7-8H,1-6H2;3-5H,2H2,1H3;4-5H,1-3H2;3-4H,1-2H2.

What are the key properties of ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol?

ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol has a molecular weight of 364.43 g/mol, XLogP of -3.30, 11 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2-diol;propane-1,3-diol is sourced from PubChem (CID 161458726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).