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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H20O2
Molecular Weight 184.2753
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DOMINICALURE I

SMILES

CCC[C@H](C)OC(=O)C(\C)=C\CC

InChI

InChIKey=HPKANHQEOBMBEF-PCYYEKQGSA-N
InChI=1S/C11H20O2/c1-5-7-9(3)11(12)13-10(4)8-6-2/h7,10H,5-6,8H2,1-4H3/b9-7+/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H20O2
Molecular Weight 184.2753
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:37:26 GMT 2025
Edited
by admin
on Mon Mar 31 22:37:26 GMT 2025
Record UNII
DLI1486NBX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(+)-DOMINICALURE I
Preferred Name English
DOMINICALURE I
Common Name English
2-PENTENOIC ACID, 2-METHYL-, (1S)-1-METHYLBUTYL ESTER, (2E)-
Systematic Name English
(E)-2-METHYL-2-PENTENOIC ACID (S)-1-METHYLBUTYL ESTER
Systematic Name English
Code System Code Type Description
CAS
80510-15-2
Created by admin on Mon Mar 31 22:37:26 GMT 2025 , Edited by admin on Mon Mar 31 22:37:26 GMT 2025
PRIMARY
FDA UNII
DLI1486NBX
Created by admin on Mon Mar 31 22:37:26 GMT 2025 , Edited by admin on Mon Mar 31 22:37:26 GMT 2025
PRIMARY
PUBCHEM
11830104
Created by admin on Mon Mar 31 22:37:26 GMT 2025 , Edited by admin on Mon Mar 31 22:37:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID201337197
Created by admin on Mon Mar 31 22:37:26 GMT 2025 , Edited by admin on Mon Mar 31 22:37:26 GMT 2025
PRIMARY