U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C5H6O
Molecular Weight 82.1005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2,4-PENTADIENAL, (2Z)-

SMILES

C=C\C=C/C=O

InChI

InChIKey=PPXGQLMPUIVFRE-ARJAWSKDSA-N
InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3-

HIDE SMILES / InChI

Molecular Formula C5H6O
Molecular Weight 82.1005
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Density functional theory and RRKM calculations of decompositions of the metastable E-2,4-pentadienal molecular ions.
2010-07
Combretastatin-chalcone hybrids: synthesis and cytotoxicity.
2007-07
New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory.
2006-12-28
New fluorescent probes for visual proteins. Part II. 5-(Oxo)penta-2,4-dienyl-p-(N,N-dimethylamino)benzoate.
2003-12
A novel push-pull Diels-Alder diene: reactions of 4-alkoxy- or 4-phenylsulfenyl-5-chalcogene-substituted 1-phenylpenta-2,4-dien-1-one with electron-deficient dienophiles.
2002-11
[Ring cleavage of N-arylpyridinium salts by nucleophiles--regioselectivity and stereochemistry of the products. 2].
2001-06
Novel bone antiresorptive agents that selectively inhibit the osteoclast V-H+-ATPase.
2001-05-12
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:20:40 GMT 2025
Edited
by admin
on Mon Mar 31 20:20:40 GMT 2025
Record UNII
YHB99447L8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(Z)-2,4-PENTADIENAL
Preferred Name English
2,4-PENTADIENAL, (2Z)-
Systematic Name English
2,4-PENTADIENAL, (Z)-
Systematic Name English
CIS-2,4-PENTADIENAL
Systematic Name English
Code System Code Type Description
PUBCHEM
5356697
Created by admin on Mon Mar 31 20:20:40 GMT 2025 , Edited by admin on Mon Mar 31 20:20:40 GMT 2025
PRIMARY
CAS
37918-47-1
Created by admin on Mon Mar 31 20:20:40 GMT 2025 , Edited by admin on Mon Mar 31 20:20:40 GMT 2025
PRIMARY
FDA UNII
YHB99447L8
Created by admin on Mon Mar 31 20:20:40 GMT 2025 , Edited by admin on Mon Mar 31 20:20:40 GMT 2025
PRIMARY