(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid

C10H12O8 — CID 134261232

IUPAC(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid
SMILESCC/C(=C/C(=O)O)C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H8O4.C4H4O4/c1-2-4(6(9)10)3-5(7)8;5-3(6)1-2-4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/b4-3-;2-1-
InChIKeyGXYNDXIWPXHMHP-WQMAPKSTSA-N
MW260.20 g/mol
LogP0.20
Rot. Bonds5

About (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid

(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid (PubChem CID 134261232) has the molecular formula C10H12O8 and a molecular weight of 260.20 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid
PubChem CID134261232
Molecular FormulaC10H12O8
Molecular Weight260.20 g/mol
Exact Mass260.05
IUPAC Name(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid
SMILESCC/C(=C/C(=O)O)C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H8O4.C4H4O4/c1-2-4(6(9)10)3-5(7)8;5-3(6)1-2-4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/b4-3-;2-1-
InChIKeyGXYNDXIWPXHMHP-WQMAPKSTSA-N
XLogP0.20
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;propanoic acid
CID 88602405
(Z)-2-butylbut-2-enedioic acid;hydrate
CID 174840725
(Z)-4-(dihydroxyamino)-2-ethyl-4-oxobut-2-enoic acid
CID 141187786
(Z)-4-butoxy-4-oxobut-2-enoic acid;(Z)-2-butylbut-2-enedioic acid
CID 159117399
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
but-2-enedioic acid;undecane
CID 157202832
(Z)-2-decylbut-2-enedioic acid
CID 18386424
(E)-but-2-enedioic acid;ethanamine
CID 173189224
but-2-enedioic acid;2-methylbut-2-enedioic acid
CID 173069076
azane;(Z)-2-(hydroxymethyl)but-2-enedioic acid
CID 173371480
(Z)-2-[(2-methylpropan-2-yl)oxymethyl]but-2-enedioic acid
CID 150717548
tris(but-2-enedioic acid);ethane-1,2-diol
CID 158068742

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid?
The IUPAC name of (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid (CID 134261232) is (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid.
What is the SMILES notation for (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid?
The canonical SMILES for (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid is CC/C(=C/C(=O)O)C(=O)O.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid?
The InChIKey is GXYNDXIWPXHMHP-WQMAPKSTSA-N. The full InChI is InChI=1S/C6H8O4.C4H4O4/c1-2-4(6(9)10)3-5(7)8;5-3(6)1-2-4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10);1-2H,(H,5,6)(H,7,8)/b4-3-;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid?
(Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid has a molecular weight of 260.20 g/mol, XLogP of 0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;(Z)-2-ethylbut-2-enedioic acid is sourced from PubChem (CID 134261232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).