4-ethoxypenta-2,4-dienoic acid

C7H10O3 — CID 57246657

IUPAC4-ethoxypenta-2,4-dienoic acid
SMILESC=C(C=CC(=O)O)OCC
InChIInChI=1S/C7H10O3/c1-3-10-6(2)4-5-7(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyIVZUEAJDCWZRRZ-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.18
Rot. Bonds4

About 4-ethoxypenta-2,4-dienoic acid

4-ethoxypenta-2,4-dienoic acid (PubChem CID 57246657) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-ethoxypenta-2,4-dienoic acid.

Molecular Properties

Compound Name4-ethoxypenta-2,4-dienoic acid
PubChem CID57246657
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-ethoxypenta-2,4-dienoic acid
SMILESC=C(C=CC(=O)O)OCC
InChIInChI=1S/C7H10O3/c1-3-10-6(2)4-5-7(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyIVZUEAJDCWZRRZ-UHFFFAOYSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
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

(2E)-4-ethoxypenta-2,4-dienoic acid
CID 87744766
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
(E)-4-ethoxy-4-oxobut-2-enoic acid;zinc
CID 6450328
CID 87309385
CID 87309385
sodium (E)-4-ethoxy-4-oxobut-2-enoic acid
CID 20838311
carbonic acid;(Z)-4-ethoxy-4-oxobut-2-enoic acid
CID 175217874
(Z)-4-ethoxy-4-oxobut-2-enoic acid;gadolinium
CID 175407847
(E)-but-2-enedioic acid;ethanamine
CID 173189224
4-ethoxypenta-2,4-dienyl acetate
CID 123296017
(Z)-but-2-enedioic acid;ethenoxyethane
CID 87901809
2-aminoacetic acid;(E)-4-ethoxy-4-oxobut-2-enoic acid
CID 5358901
(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121

Frequently Asked Questions

What is the IUPAC name of 4-ethoxypenta-2,4-dienoic acid?
The IUPAC name of 4-ethoxypenta-2,4-dienoic acid (CID 57246657) is 4-ethoxypenta-2,4-dienoic acid.
What is the SMILES notation for 4-ethoxypenta-2,4-dienoic acid?
The canonical SMILES for 4-ethoxypenta-2,4-dienoic acid is C=C(C=CC(=O)O)OCC.
What is the InChIKey of 4-ethoxypenta-2,4-dienoic acid?
The InChIKey is IVZUEAJDCWZRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-10-6(2)4-5-7(8)9/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-ethoxypenta-2,4-dienoic acid?
4-ethoxypenta-2,4-dienoic acid has a molecular weight of 142.15 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypenta-2,4-dienoic acid is sourced from PubChem (CID 57246657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).