sodium;ethoxyethane;2-hydroxyacetate

C6H13NaO4 — CID 87814066

IUPACsodium;ethoxyethane;2-hydroxyacetate
SMILESCCOCC.O=C([O-])CO.[Na+]
InChIInChI=1S/C4H10O.C2H4O3.Na/c1-3-5-4-2;3-1-2(4)5;/h3-4H2,1-2H3;3H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyCNWRGULEVYKLKP-UHFFFAOYSA-M
MW172.16 g/mol
LogP-4.22
Rot. Bonds3

About sodium;ethoxyethane;2-hydroxyacetate

sodium;ethoxyethane;2-hydroxyacetate (PubChem CID 87814066) has the molecular formula C6H13NaO4 and a molecular weight of 172.16 g/mol. Its IUPAC name is sodium;ethoxyethane;2-hydroxyacetate.

Molecular Properties

Compound Namesodium;ethoxyethane;2-hydroxyacetate
PubChem CID87814066
Molecular FormulaC6H13NaO4
Molecular Weight172.16 g/mol
Exact Mass172.07
IUPAC Namesodium;ethoxyethane;2-hydroxyacetate
SMILESCCOCC.O=C([O-])CO.[Na+]
InChIInChI=1S/C4H10O.C2H4O3.Na/c1-3-5-4-2;3-1-2(4)5;/h3-4H2,1-2H3;3H,1H2,(H,4,5);/q;;+1/p-1
InChIKeyCNWRGULEVYKLKP-UHFFFAOYSA-M
XLogP-4.22
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-4.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dilithium;ethoxyethane;carbonate
CID 173429420
2-hydroxyacetate
CID 5460308
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337
ethanol;3-ethoxypropanoate
CID 23090651
tris(2-hydroxyacetate);iridium(3+)
CID 158441249
dipotassium bis(2-hydroxyacetate)
CID 140653272
dysprosium(3+);tris(2-hydroxyacetate)
CID 158146925
zinc bis(2-hydroxyacetate)
CID 15245444
2-hydroxyacetate;iron(2+)
CID 18504415
trisodium;propanoate
CID 86625665
tris(2-hydroxyacetate);yttrium(3+)
CID 161004200
disodium;ethoxyethane
CID 23107014

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxyethane;2-hydroxyacetate?
The IUPAC name of sodium;ethoxyethane;2-hydroxyacetate (CID 87814066) is sodium;ethoxyethane;2-hydroxyacetate.
What is the SMILES notation for sodium;ethoxyethane;2-hydroxyacetate?
The canonical SMILES for sodium;ethoxyethane;2-hydroxyacetate is CCOCC.O=C([O-])CO.[Na+].
What is the InChIKey of sodium;ethoxyethane;2-hydroxyacetate?
The InChIKey is CNWRGULEVYKLKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H10O.C2H4O3.Na/c1-3-5-4-2;3-1-2(4)5;/h3-4H2,1-2H3;3H,1H2,(H,4,5);/q;;+1/p-1.
What are the key properties of sodium;ethoxyethane;2-hydroxyacetate?
sodium;ethoxyethane;2-hydroxyacetate has a molecular weight of 172.16 g/mol, XLogP of -4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxyethane;2-hydroxyacetate is sourced from PubChem (CID 87814066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).