(2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid

C9H8O2S — CID 10921111

IUPAC(2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/c1cccs1
InChIInChI=1S/C9H8O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h1-7H,(H,10,11)/b4-1+,6-2+
InChIKeyGHUSLSRUFUMRAV-NKZTZDQQSA-N
MW180.23 g/mol
LogP2.40
Rot. Bonds3

About (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid

(2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid (PubChem CID 10921111) has the molecular formula C9H8O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid
PubChem CID10921111
Molecular FormulaC9H8O2S
Molecular Weight180.23 g/mol
Exact Mass180.02
IUPAC Name(2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C/C=C/c1cccs1
InChIInChI=1S/C9H8O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h1-7H,(H,10,11)/b4-1+,6-2+
InChIKeyGHUSLSRUFUMRAV-NKZTZDQQSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid?
The IUPAC name of (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid (CID 10921111) is (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid is O=C(O)/C=C/C=C/c1cccs1.
What is the InChIKey of (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid?
The InChIKey is GHUSLSRUFUMRAV-NKZTZDQQSA-N. The full InChI is InChI=1S/C9H8O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h1-7H,(H,10,11)/b4-1+,6-2+.
What are the key properties of (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid?
(2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid has a molecular weight of 180.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-thiophen-2-ylpenta-2,4-dienoic acid is sourced from PubChem (CID 10921111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).