disodium;butanedioate;methanol

C5H8Na2O5 — CID 160588999

IUPACdisodium;butanedioate;methanol
SMILESCO.O=C([O-])CCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.CH4O.2Na/c5-3(6)1-2-4(7)8;1-2;;/h1-2H2,(H,5,6)(H,7,8);2H,1H3;;/q;;2*+1/p-2
InChIKeyBFTQVDPWHBWXSN-UHFFFAOYSA-L
MW194.09 g/mol
LogP-9.12
Rot. Bonds3

About disodium;butanedioate;methanol

disodium;butanedioate;methanol (PubChem CID 160588999) has the molecular formula C5H8Na2O5 and a molecular weight of 194.09 g/mol. Its IUPAC name is disodium;butanedioate;methanol.

Molecular Properties

Compound Namedisodium;butanedioate;methanol
PubChem CID160588999
Molecular FormulaC5H8Na2O5
Molecular Weight194.09 g/mol
Exact Mass194.02
IUPAC Namedisodium;butanedioate;methanol
SMILESCO.O=C([O-])CCC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C4H6O4.CH4O.2Na/c5-3(6)1-2-4(7)8;1-2;;/h1-2H2,(H,5,6)(H,7,8);2H,1H3;;/q;;2*+1/p-2
InChIKeyBFTQVDPWHBWXSN-UHFFFAOYSA-L
XLogP-9.12
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.09
LogP ≤ 5-9.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

disodium;acetic acid;butanedioate
CID 173373024
disodium;butanedioate;ethanol
CID 86659235
bis(butanedioate);osmium(4+)
CID 159559487
copper;zinc;bis(butanedioate)
CID 159835693
azanium;lithium;butanedioate
CID 18352245
sodium 4-oxohexanoate
CID 23690884
4-oxoheptanedioate
CID 6995280
butanedioate;propanedioate
CID 18423363
tris(4-oxopentanoate);vanadium
CID 157360073
disodium;butanoate;hydroxide
CID 173219323
trisodium;butanedioate;dihydrogen phosphate
CID 160603820
copper bis(4-oxopentanoate)
CID 86599724

Frequently Asked Questions

What is the IUPAC name of disodium;butanedioate;methanol?
The IUPAC name of disodium;butanedioate;methanol (CID 160588999) is disodium;butanedioate;methanol.
What is the SMILES notation for disodium;butanedioate;methanol?
The canonical SMILES for disodium;butanedioate;methanol is CO.O=C([O-])CCC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;butanedioate;methanol?
The InChIKey is BFTQVDPWHBWXSN-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O4.CH4O.2Na/c5-3(6)1-2-4(7)8;1-2;;/h1-2H2,(H,5,6)(H,7,8);2H,1H3;;/q;;2*+1/p-2.
What are the key properties of disodium;butanedioate;methanol?
disodium;butanedioate;methanol has a molecular weight of 194.09 g/mol, XLogP of -9.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;butanedioate;methanol is sourced from PubChem (CID 160588999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).