(2E)-penta-2,4-dienoic acid

C5H6O2 — CID 642034

IUPAC(2E)-penta-2,4-dienoic acid
SMILESC=C/C=C/C(=O)O
InChIInChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
InChIKeySDVVLIIVFBKBMG-ONEGZZNKSA-N
MW98.10 g/mol
LogP0.81
Rot. Bonds2

About (2E)-penta-2,4-dienoic acid

(2E)-penta-2,4-dienoic acid (PubChem CID 642034) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is (2E)-penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E)-penta-2,4-dienoic acid
PubChem CID642034
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name(2E)-penta-2,4-dienoic acid
SMILESC=C/C=C/C(=O)O
InChIInChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
InChIKeySDVVLIIVFBKBMG-ONEGZZNKSA-N
XLogP0.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-penta-2,4-dienoic acid?
The IUPAC name of (2E)-penta-2,4-dienoic acid (CID 642034) is (2E)-penta-2,4-dienoic acid.
What is the SMILES notation for (2E)-penta-2,4-dienoic acid?
The canonical SMILES for (2E)-penta-2,4-dienoic acid is C=C/C=C/C(=O)O.
What is the InChIKey of (2E)-penta-2,4-dienoic acid?
The InChIKey is SDVVLIIVFBKBMG-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+.
What are the key properties of (2E)-penta-2,4-dienoic acid?
(2E)-penta-2,4-dienoic acid has a molecular weight of 98.10 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-penta-2,4-dienoic acid is sourced from PubChem (CID 642034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).