disodium;butanedioate;ethanol

C6H10Na2O5 — CID 86659235

IUPACdisodium;butanedioate;ethanol
SMILESCCO.O=C([O-])CCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.C2H6O.2Na/c5-3(6)1-2-4(7)8;1-2-3;;/h1-2H2,(H,5,6)(H,7,8);3H,2H2,1H3;;/q;;2*+1/p-2
InChIKeyUVSSTDUXAJJXGS-UHFFFAOYSA-L
MW208.12 g/mol
LogP-8.73
Rot. Bonds3

About disodium;butanedioate;ethanol

disodium;butanedioate;ethanol (PubChem CID 86659235) has the molecular formula C6H10Na2O5 and a molecular weight of 208.12 g/mol. Its IUPAC name is disodium;butanedioate;ethanol.

Molecular Properties

Compound Namedisodium;butanedioate;ethanol
PubChem CID86659235
Molecular FormulaC6H10Na2O5
Molecular Weight208.12 g/mol
Exact Mass208.03
IUPAC Namedisodium;butanedioate;ethanol
SMILESCCO.O=C([O-])CCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.C2H6O.2Na/c5-3(6)1-2-4(7)8;1-2-3;;/h1-2H2,(H,5,6)(H,7,8);3H,2H2,1H3;;/q;;2*+1/p-2
InChIKeyUVSSTDUXAJJXGS-UHFFFAOYSA-L
XLogP-8.73
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 5-8.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

disodium;butanedioate;methanol
CID 160588999
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bis(butanedioate);osmium(4+)
CID 159559487
trisodium;propanoate
CID 86625665
disodium;butanoate;hydroxide
CID 173219323
copper;zinc;bis(butanedioate)
CID 159835693
azanium;lithium;butanedioate
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magnesium;ethanol;carbonate
CID 159993357
magnesium butanoate
CID 6453218
butanoate;ytterbium(2+)
CID 88777454

Frequently Asked Questions

What is the IUPAC name of disodium;butanedioate;ethanol?
The IUPAC name of disodium;butanedioate;ethanol (CID 86659235) is disodium;butanedioate;ethanol.
What is the SMILES notation for disodium;butanedioate;ethanol?
The canonical SMILES for disodium;butanedioate;ethanol is CCO.O=C([O-])CCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;butanedioate;ethanol?
The InChIKey is UVSSTDUXAJJXGS-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O4.C2H6O.2Na/c5-3(6)1-2-4(7)8;1-2-3;;/h1-2H2,(H,5,6)(H,7,8);3H,2H2,1H3;;/q;;2*+1/p-2.
What are the key properties of disodium;butanedioate;ethanol?
disodium;butanedioate;ethanol has a molecular weight of 208.12 g/mol, XLogP of -8.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;butanedioate;ethanol is sourced from PubChem (CID 86659235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).