sodium 2-(2-butoxyethoxy)ethanolate

C8H17NaO3 — CID 23677067

IUPACsodium 2-(2-butoxyethoxy)ethanolate
SMILESCCCCOCCOCC[O-].[Na+]
InChIInChI=1S/C8H17O3.Na/c1-2-3-5-10-7-8-11-6-4-9;/h2-8H2,1H3;/q-1;+1
InChIKeyKAJZHZHQGRIPIC-UHFFFAOYSA-N
MW184.21 g/mol
LogP-2.82
Rot. Bonds8

About sodium 2-(2-butoxyethoxy)ethanolate

sodium 2-(2-butoxyethoxy)ethanolate (PubChem CID 23677067) has the molecular formula C8H17NaO3 and a molecular weight of 184.21 g/mol. Its IUPAC name is sodium 2-(2-butoxyethoxy)ethanolate.

Molecular Properties

Compound Namesodium 2-(2-butoxyethoxy)ethanolate
PubChem CID23677067
Molecular FormulaC8H17NaO3
Molecular Weight184.21 g/mol
Exact Mass184.11
IUPAC Namesodium 2-(2-butoxyethoxy)ethanolate
SMILESCCCCOCCOCC[O-].[Na+]
InChIInChI=1S/C8H17O3.Na/c1-2-3-5-10-7-8-11-6-4-9;/h2-8H2,1H3;/q-1;+1
InChIKeyKAJZHZHQGRIPIC-UHFFFAOYSA-N
XLogP-2.82
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 5-2.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethylene glycol diethyl ether
CID 8179
Diethylene glycol dibutyl ether
CID 8210
Ethylene glycol dibutyl ether
CID 8188
5,8,11,14-Tetraoxaoctadecane
CID 2733908
1-Butoxy-2-ethoxyethane
CID 20451
Butyl 2-methoxyethyl ether
CID 83358
Ether, butyl 2-(beta-fluoroethoxy)ethyl
CID 11630
1-Ethoxy-2-(pentyloxy)ethane
CID 18999776
1,2-Dipropoxyethane
CID 140437
Sodium 2-butoxyethanolate
CID 23671990
1-(2-Ethoxyethoxy)propane
CID 18546772
Sodium 2-(2-butoxyethoxy)ethyl sulphate
CID 23696770

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-butoxyethoxy)ethanolate?
The IUPAC name of sodium 2-(2-butoxyethoxy)ethanolate (CID 23677067) is sodium 2-(2-butoxyethoxy)ethanolate.
What is the SMILES notation for sodium 2-(2-butoxyethoxy)ethanolate?
The canonical SMILES for sodium 2-(2-butoxyethoxy)ethanolate is CCCCOCCOCC[O-].[Na+].
What is the InChIKey of sodium 2-(2-butoxyethoxy)ethanolate?
The InChIKey is KAJZHZHQGRIPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O3.Na/c1-2-3-5-10-7-8-11-6-4-9;/h2-8H2,1H3;/q-1;+1.
What are the key properties of sodium 2-(2-butoxyethoxy)ethanolate?
sodium 2-(2-butoxyethoxy)ethanolate has a molecular weight of 184.21 g/mol, XLogP of -2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-butoxyethoxy)ethanolate is sourced from PubChem (CID 23677067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).