sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide

C8H21NaO6 — CID 173220680

IUPACsodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
SMILESCOCCOCCOC.OCCO.[Na+].[OH-]
InChIInChI=1S/C6H14O3.C2H6O2.Na.H2O/c1-7-3-5-9-6-4-8-2;3-1-2-4;;/h3-6H2,1-2H3;3-4H,1-2H2;;1H2/q;;+1;/p-1
InChIKeyVWCVAPWNRFSOSI-UHFFFAOYSA-M
MW236.24 g/mol
LogP-3.91
Rot. Bonds7

About sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide

sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide (PubChem CID 173220680) has the molecular formula C8H21NaO6 and a molecular weight of 236.24 g/mol. Its IUPAC name is sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide.

Molecular Properties

Compound Namesodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
PubChem CID173220680
Molecular FormulaC8H21NaO6
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Namesodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
SMILESCOCCOCCOC.OCCO.[Na+].[OH-]
InChIInChI=1S/C6H14O3.C2H6O2.Na.H2O/c1-7-3-5-9-6-4-8-2;3-1-2-4;;/h3-6H2,1-2H3;3-4H,1-2H2;;1H2/q;;+1;/p-1
InChIKeyVWCVAPWNRFSOSI-UHFFFAOYSA-M
XLogP-3.91
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 5-3.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948
ethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87301416
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
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-hydroxyethoxy)ethanol;methoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane
CID 174794611
2-(2-hydroxyethoxy)ethanol;methoxyethane;2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 175424944
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759

Frequently Asked Questions

What is the IUPAC name of sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide?
The IUPAC name of sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide (CID 173220680) is sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide.
What is the SMILES notation for sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide?
The canonical SMILES for sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide is COCCOCCOC.OCCO.[Na+].[OH-].
What is the InChIKey of sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide?
The InChIKey is VWCVAPWNRFSOSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14O3.C2H6O2.Na.H2O/c1-7-3-5-9-6-4-8-2;3-1-2-4;;/h3-6H2,1-2H3;3-4H,1-2H2;;1H2/q;;+1;/p-1.
What are the key properties of sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide?
sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide has a molecular weight of 236.24 g/mol, XLogP of -3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide is sourced from PubChem (CID 173220680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).