sodium;(Z)-but-2-enedioic acid;ethene

C6H8NaO4+ — CID 54602803

IUPACsodium;(Z)-but-2-enedioic acid;ethene
SMILESC=C.O=C(O)/C=C\C(=O)O.[Na+]
InChIInChI=1S/C4H4O4.C2H4.Na/c5-3(6)1-2-4(7)8;1-2;/h1-2H,(H,5,6)(H,7,8);1-2H2;/q;;+1/b2-1-;;
InChIKeyDOIQCUXPTQBWKW-UAIGNFCESA-N
MW167.12 g/mol
LogP-2.48
Rot. Bonds2

About sodium;(Z)-but-2-enedioic acid;ethene

sodium;(Z)-but-2-enedioic acid;ethene (PubChem CID 54602803) has the molecular formula C6H8NaO4+ and a molecular weight of 167.12 g/mol. Its IUPAC name is sodium;(Z)-but-2-enedioic acid;ethene.

Molecular Properties

Compound Namesodium;(Z)-but-2-enedioic acid;ethene
PubChem CID54602803
Molecular FormulaC6H8NaO4+
Molecular Weight167.12 g/mol
Exact Mass167.03
IUPAC Namesodium;(Z)-but-2-enedioic acid;ethene
SMILESC=C.O=C(O)/C=C\C(=O)O.[Na+]
InChIInChI=1S/C4H4O4.C2H4.Na/c5-3(6)1-2-4(7)8;1-2;/h1-2H,(H,5,6)(H,7,8);1-2H2;/q;;+1/b2-1-;;
InChIKeyDOIQCUXPTQBWKW-UAIGNFCESA-N
XLogP-2.48
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.12
LogP ≤ 5-2.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;ethene;manganese
CID 54606396
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
sodium;(Z)-but-2-enedioic acid;hydride;lanthanum
CID 174878095
CID 76552400
CID 76552400
(E)-but-2-enedioic acid;iron
CID 5478817
(Z)-but-2-enedioic acid;manganese
CID 87121555
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
(Z)-but-2-enedioic acid;hydrate
CID 86620054
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
but-2-enedioic acid;dihydrate
CID 76541248

Frequently Asked Questions

What is the IUPAC name of sodium;(Z)-but-2-enedioic acid;ethene?
The IUPAC name of sodium;(Z)-but-2-enedioic acid;ethene (CID 54602803) is sodium;(Z)-but-2-enedioic acid;ethene.
What is the SMILES notation for sodium;(Z)-but-2-enedioic acid;ethene?
The canonical SMILES for sodium;(Z)-but-2-enedioic acid;ethene is C=C.O=C(O)/C=C\C(=O)O.[Na+].
What is the InChIKey of sodium;(Z)-but-2-enedioic acid;ethene?
The InChIKey is DOIQCUXPTQBWKW-UAIGNFCESA-N. The full InChI is InChI=1S/C4H4O4.C2H4.Na/c5-3(6)1-2-4(7)8;1-2;/h1-2H,(H,5,6)(H,7,8);1-2H2;/q;;+1/b2-1-;;.
What are the key properties of sodium;(Z)-but-2-enedioic acid;ethene?
sodium;(Z)-but-2-enedioic acid;ethene has a molecular weight of 167.12 g/mol, XLogP of -2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(Z)-but-2-enedioic acid;ethene is sourced from PubChem (CID 54602803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).