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

C7H10O2 — CID 118517754

IUPAC(2E)-2-ethylpenta-2,4-dienoic acid
SMILESC=C/C=C(\CC)C(=O)O
InChIInChI=1S/C7H10O2/c1-3-5-6(4-2)7(8)9/h3,5H,1,4H2,2H3,(H,8,9)/b6-5+
InChIKeyXLBRSWNZCCOQCR-AATRIKPKSA-N
MW126.15 g/mol
LogP1.59
Rot. Bonds3

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

(2E)-2-ethylpenta-2,4-dienoic acid (PubChem CID 118517754) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is (2E)-2-ethylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E)-2-ethylpenta-2,4-dienoic acid
PubChem CID118517754
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name(2E)-2-ethylpenta-2,4-dienoic acid
SMILESC=C/C=C(\CC)C(=O)O
InChIInChI=1S/C7H10O2/c1-3-5-6(4-2)7(8)9/h3,5H,1,4H2,2H3,(H,8,9)/b6-5+
InChIKeyXLBRSWNZCCOQCR-AATRIKPKSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.59
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'}

Analyze (2E)-2-ethylpenta-2,4-dienoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-2-ethyl-5-hydroxyhexa-2,4-dienoic acid
CID 142196087
N-[(3Z)-3-ethylhexa-1,3,5-trien-2-yl]acetamide
CID 177208233
(E)-2-ethylbut-2-enoic acid;hydrate
CID 162318068
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
buta-1,3-diene;propanoic acid
CID 175603482
1-[(3E,5Z)-5-ethylocta-1,3,5,7-tetraen-4-yl]-3-methylurea
CID 138569425
(2E)-2-ethylpenta-2,4-dienal
CID 88543271
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
4-buta-1,3-dienyl-2-ethyl-5-methylidenehex-2-enedioic acid
CID 118212313
(2E)-2-butan-2-ylpenta-2,4-dienoic acid
CID 129274160
ethane;(2E,4Z)-4-ethyl-N-methylhepta-2,4,6-trien-3-amine
CID 156719624
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylpenta-2,4-dienoic acid?
The IUPAC name of (2E)-2-ethylpenta-2,4-dienoic acid (CID 118517754) is (2E)-2-ethylpenta-2,4-dienoic acid.
What is the SMILES notation for (2E)-2-ethylpenta-2,4-dienoic acid?
The canonical SMILES for (2E)-2-ethylpenta-2,4-dienoic acid is C=C/C=C(\CC)C(=O)O.
What is the InChIKey of (2E)-2-ethylpenta-2,4-dienoic acid?
The InChIKey is XLBRSWNZCCOQCR-AATRIKPKSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-5-6(4-2)7(8)9/h3,5H,1,4H2,2H3,(H,8,9)/b6-5+.
What are the key properties of (2E)-2-ethylpenta-2,4-dienoic acid?
(2E)-2-ethylpenta-2,4-dienoic acid has a molecular weight of 126.15 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylpenta-2,4-dienoic acid is sourced from PubChem (CID 118517754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).