2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol

C21H50O10 — CID 162022873

IUPAC2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
SMILESCCCOCCO.CCCOCCOC.COCCOCCCO.OCCOCCO
InChIInChI=1S/C6H14O3.C6H14O2.C5H12O2.C4H10O3/c1-8-5-6-9-4-2-3-7;1-3-4-8-6-5-7-2;1-2-4-7-5-3-6;5-1-3-7-4-2-6/h7H,2-6H2,1H3;3-6H2,1-2H3;6H,2-5H2,1H3;5-6H,1-4H2
InChIKeyYUZASXDGDRDGCH-UHFFFAOYSA-N
MW462.62 g/mol
LogP0.48
Rot. Bonds19

About 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol

2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol (PubChem CID 162022873) has the molecular formula C21H50O10 and a molecular weight of 462.62 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
PubChem CID162022873
Molecular FormulaC21H50O10
Molecular Weight462.62 g/mol
Exact Mass462.34
IUPAC Name2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
SMILESCCCOCCO.CCCOCCOC.COCCOCCCO.OCCOCCO
InChIInChI=1S/C6H14O3.C6H14O2.C5H12O2.C4H10O3/c1-8-5-6-9-4-2-3-7;1-3-4-8-6-5-7-2;1-2-4-7-5-3-6;5-1-3-7-4-2-6/h7H,2-6H2,1H3;3-6H2,1-2H3;6H,2-5H2,1H3;5-6H,1-4H2
InChIKeyYUZASXDGDRDGCH-UHFFFAOYSA-N
XLogP0.48
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propane
CID 161348551
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175351747
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;1-propoxybutane
CID 175100397
3-[3-(3-propoxypropoxy)propoxy]propan-1-ol
CID 4249185
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
2-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
2-(2-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol (CID 162022873) is 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol is CCCOCCO.CCCOCCOC.COCCOCCCO.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol?
The InChIKey is YUZASXDGDRDGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C6H14O2.C5H12O2.C4H10O3/c1-8-5-6-9-4-2-3-7;1-3-4-8-6-5-7-2;1-2-4-7-5-3-6;5-1-3-7-4-2-6/h7H,2-6H2,1H3;3-6H2,1-2H3;6H,2-5H2,1H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol?
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol has a molecular weight of 462.62 g/mol, XLogP of 0.48, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol is sourced from PubChem (CID 162022873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).