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, (2E)-

SMILES

C=C\C=C\C=O

InChI

InChIKey=PPXGQLMPUIVFRE-ONEGZZNKSA-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
Novel bone antiresorptive agents that selectively inhibit the osteoclast V-H+-ATPase.
2001 Jan-Feb
[Ring cleavage of N-arylpyridinium salts by nucleophiles--regioselectivity and stereochemistry of the products. 2].
2001 Jun
New findings on the Diels-Alder reactions. An analysis based on the bonding evolution theory.
2006 Dec 28
Combretastatin-chalcone hybrids: synthesis and cytotoxicity.
2007 Jul
Density functional theory and RRKM calculations of decompositions of the metastable E-2,4-pentadienal molecular ions.
2010 Jul
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:29:56 GMT 2023
Edited
by admin
on Fri Dec 15 18:29:56 GMT 2023
Record UNII
XVX50AC1J0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-PENTADIENAL, (2E)-
Systematic Name English
2,4-PENTADIEN-1-AL
Systematic Name English
2,4-PENTADIENAL
FHFI  
Systematic Name English
2,4-PENTADIENAL, (E)-
Systematic Name English
(E)-2,4-PENTADIENAL
Systematic Name English
FEMA NO. 3217
Code English
2,4-PENTADIENAL [FHFI]
Common Name English
TRANS-2,4-PENTADIENAL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2,4-PENTADIENAL
Created by admin on Fri Dec 15 18:29:57 GMT 2023 , Edited by admin on Fri Dec 15 18:29:57 GMT 2023
Code System Code Type Description
PUBCHEM
5986428
Created by admin on Fri Dec 15 18:29:57 GMT 2023 , Edited by admin on Fri Dec 15 18:29:57 GMT 2023
PRIMARY
JECFA MONOGRAPH
1164
Created by admin on Fri Dec 15 18:29:57 GMT 2023 , Edited by admin on Fri Dec 15 18:29:57 GMT 2023
PRIMARY
CAS
20432-40-0
Created by admin on Fri Dec 15 18:29:56 GMT 2023 , Edited by admin on Fri Dec 15 18:29:56 GMT 2023
PRIMARY
FDA UNII
XVX50AC1J0
Created by admin on Fri Dec 15 18:29:56 GMT 2023 , Edited by admin on Fri Dec 15 18:29:56 GMT 2023
PRIMARY