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

C12H18O5 — CID 173139287

IUPAC(Z)-but-2-enedioic acid;ethene;ethenoxyethene
SMILESC=C.C=C.C=COC=C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H6O.2C2H4/c5-3(6)1-2-4(7)8;1-3-5-4-2;2*1-2/h1-2H,(H,5,6)(H,7,8);3-4H,1-2H2;2*1-2H2/b2-1-;;;
InChIKeyZPLXULRCVWLMQM-GRHBHMESSA-N
MW242.27 g/mol
LogP2.61
Rot. Bonds4

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

(Z)-but-2-enedioic acid;ethene;ethenoxyethene (PubChem CID 173139287) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;ethene;ethenoxyethene.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;ethene;ethenoxyethene
PubChem CID173139287
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(Z)-but-2-enedioic acid;ethene;ethenoxyethene
SMILESC=C.C=C.C=COC=C.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C4H4O4.C4H6O.2C2H4/c5-3(6)1-2-4(7)8;1-3-5-4-2;2*1-2/h1-2H,(H,5,6)(H,7,8);3-4H,1-2H2;2*1-2H2/b2-1-;;;
InChIKeyZPLXULRCVWLMQM-GRHBHMESSA-N
XLogP2.61
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-but-2-enedioic acid;ethenoxyethene
CID 87702747
(Z)-but-2-enedioic acid;ethene;manganese
CID 54606396
sodium;(Z)-but-2-enedioic acid;ethene
CID 54602803
(Z)-but-2-enedioic acid;ethene;ethenyl acetate
CID 174897820
(E)-but-2-enedioic acid;formaldehyde
CID 88669172
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
(Z)-but-2-enedioic acid;hydrate
CID 86620054
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
(Z)-but-2-enedioic acid;manganese
CID 87121555

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;ethene;ethenoxyethene?
The IUPAC name of (Z)-but-2-enedioic acid;ethene;ethenoxyethene (CID 173139287) is (Z)-but-2-enedioic acid;ethene;ethenoxyethene.
What is the SMILES notation for (Z)-but-2-enedioic acid;ethene;ethenoxyethene?
The canonical SMILES for (Z)-but-2-enedioic acid;ethene;ethenoxyethene is C=C.C=C.C=COC=C.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;ethene;ethenoxyethene?
The InChIKey is ZPLXULRCVWLMQM-GRHBHMESSA-N. The full InChI is InChI=1S/C4H4O4.C4H6O.2C2H4/c5-3(6)1-2-4(7)8;1-3-5-4-2;2*1-2/h1-2H,(H,5,6)(H,7,8);3-4H,1-2H2;2*1-2H2/b2-1-;;;.
What are the key properties of (Z)-but-2-enedioic acid;ethene;ethenoxyethene?
(Z)-but-2-enedioic acid;ethene;ethenoxyethene has a molecular weight of 242.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;ethene;ethenoxyethene is sourced from PubChem (CID 173139287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).