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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H10O2
Molecular Weight 114.1424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-2-PENTENOIC ACID, (2E)-

SMILES

CC(C)\C=C\C(O)=O

InChI

InChIKey=QAOXMQCWUWZZNC-ONEGZZNKSA-N
InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+

HIDE SMILES / InChI

Molecular Formula C6H10O2
Molecular Weight 114.1424
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:51:42 GMT 2023
Edited
by admin
on Fri Dec 15 18:51:42 GMT 2023
Record UNII
0QP1933PTD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-METHYL-2-PENTENOIC ACID, (2E)-
Common Name English
2-PENTENOIC ACID, 4-METHYL-, (2E)-
Common Name English
(2E)-4-METHYLPENT-2-ENOIC ACID
Systematic Name English
FEMA NO. 4180, E-
Code English
(E)-4-METHYLPENT-2-ENOIC ACID
Systematic Name English
TRANS-4-METHYL-2-PENTENOIC ACID
Systematic Name English
(E)-4-METHYL-2-PENTENOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
0QP1933PTD
Created by admin on Fri Dec 15 18:51:42 GMT 2023 , Edited by admin on Fri Dec 15 18:51:42 GMT 2023
PRIMARY
CAS
16666-43-6
Created by admin on Fri Dec 15 18:51:42 GMT 2023 , Edited by admin on Fri Dec 15 18:51:42 GMT 2023
PRIMARY
PUBCHEM
642039
Created by admin on Fri Dec 15 18:51:42 GMT 2023 , Edited by admin on Fri Dec 15 18:51:42 GMT 2023
PRIMARY