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

C23H60O15 — CID 174809895

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

ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol (PubChem CID 174809895) has the molecular formula C23H60O15 and a molecular weight of 576.72 g/mol. Its IUPAC name is ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol.

Molecular Properties

• Compound Name: ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol
• PubChem CID: 174809895
• Molecular Formula: C23H60O15
• Molecular Weight: 576.72 g/mol
• Exact Mass: 576.39
• IUPAC Name: ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol
• SMILES: CC(C)O.CCCO.CCO.OCC(O)CO.OCCO.OCCOCCO.OCCOCCOCCO
• InChI: InChI=1S/C6H14O4.C4H10O3.C3H8O3.2C3H8O.C2H6O2.C2H6O/c7-1-3-9-5-6-10-4-2-8;5-1-3-7-4-2-6;4-1-3(6)2-5;1-3(2)4;1-2-3-4;3-1-2-4;1-2-3/h7-8H,1-6H2;5-6H,1-4H2;3-6H,1-2H2;3-4H,1-2H3;4H,2-3H2,1H3;3-4H,1-2H2;3H,2H2,1H3
• InChIKey: RMRWSTGALFPLBM-UHFFFAOYSA-N
• XLogP: -3.93
• TPSA: 270.45 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	576.72
LogP ≤ 5	-3.93
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	15

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;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol?

The IUPAC name of ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol (CID 174809895) is ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol.

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

The canonical SMILES for ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol is CC(C)O.CCCO.CCO.OCC(O)CO.OCCO.OCCOCCO.OCCOCCOCCO.

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

The InChIKey is RMRWSTGALFPLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C4H10O3.C3H8O3.2C3H8O.C2H6O2.C2H6O/c7-1-3-9-5-6-10-4-2-8;5-1-3-7-4-2-6;4-1-3(6)2-5;1-3(2)4;1-2-3-4;3-1-2-4;1-2-3/h7-8H,1-6H2;5-6H,1-4H2;3-6H,1-2H2;3-4H,1-2H3;4H,2-3H2,1H3;3-4H,1-2H2;3H,2H2,1H3.

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

ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol has a molecular weight of 576.72 g/mol, XLogP of -3.93, 15 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane-1,2-diol;ethanol;2-(2-hydroxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propane-1,2,3-triol;propan-1-ol;propan-2-ol is sourced from PubChem (CID 174809895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).