ethenyl (2E)-penta-2,4-dienoate

C7H8O2 — CID 87528503

IUPACethenyl (2E)-penta-2,4-dienoate
SMILESC=C/C=C/C(=O)OC=C
InChIInChI=1S/C7H8O2/c1-3-5-6-7(8)9-4-2/h3-6H,1-2H2/b6-5+
InChIKeyROVYORAUNHBJLG-AATRIKPKSA-N
MW124.14 g/mol
LogP1.42
Rot. Bonds3

About ethenyl (2E)-penta-2,4-dienoate

ethenyl (2E)-penta-2,4-dienoate (PubChem CID 87528503) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is ethenyl (2E)-penta-2,4-dienoate.

Molecular Properties

Compound Nameethenyl (2E)-penta-2,4-dienoate
PubChem CID87528503
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Nameethenyl (2E)-penta-2,4-dienoate
SMILESC=C/C=C/C(=O)OC=C
InChIInChI=1S/C7H8O2/c1-3-5-6-7(8)9-4-2/h3-6H,1-2H2/b6-5+
InChIKeyROVYORAUNHBJLG-AATRIKPKSA-N
XLogP1.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(ethenyl) (Z)-but-2-enedioate;ethene
CID 174990906
di(penta-2,4-dienoyloxy)bismuthanyl penta-2,4-dienoate
CID 172754861
[(1E)-buta-1,3-dienyl] (2E,4E)-hexa-2,4-dienoate
CID 134872844
ethenyl 4-silylbut-2-enoate
CID 174902560
methylsulfonyl (2Z)-penta-2,4-dienoate
CID 89441822
(Z)-4-[(1E)-buta-1,3-dienoxy]-4-oxobut-2-enoic acid
CID 141223387
[4-[(2E)-penta-2,4-dienoyl]oxycyclohexyl] (2E)-penta-2,4-dienoate
CID 74221225
ethenyl (E)-3-ethoxyprop-2-enoate
CID 142695290
ethenyl prop-2-enoate;urea
CID 146453811
[(1Z,3E)-2-nitrohexa-1,3,5-trienyl] (2Z,4E)-3-nitrohepta-2,4,6-trienoate
CID 177396393
but-3-enoic acid;(Z)-4-ethenoxy-4-oxobut-2-enoic acid
CID 175246297
bis(ethenyl) carbonate;ethene
CID 87073622

Frequently Asked Questions

What is the IUPAC name of ethenyl (2E)-penta-2,4-dienoate?
The IUPAC name of ethenyl (2E)-penta-2,4-dienoate (CID 87528503) is ethenyl (2E)-penta-2,4-dienoate.
What is the SMILES notation for ethenyl (2E)-penta-2,4-dienoate?
The canonical SMILES for ethenyl (2E)-penta-2,4-dienoate is C=C/C=C/C(=O)OC=C.
What is the InChIKey of ethenyl (2E)-penta-2,4-dienoate?
The InChIKey is ROVYORAUNHBJLG-AATRIKPKSA-N. The full InChI is InChI=1S/C7H8O2/c1-3-5-6-7(8)9-4-2/h3-6H,1-2H2/b6-5+.
What are the key properties of ethenyl (2E)-penta-2,4-dienoate?
ethenyl (2E)-penta-2,4-dienoate has a molecular weight of 124.14 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl (2E)-penta-2,4-dienoate is sourced from PubChem (CID 87528503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).