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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O2
Molecular Weight 128.169
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methoxy-3-methylene-2-pentanone

SMILES

CCC(=C)C(=O)COC

InChI

InChIKey=PEPJPZZZBHWOCM-UHFFFAOYSA-N
InChI=1S/C7H12O2/c1-4-6(2)7(8)5-9-3/h2,4-5H2,1,3H3

HIDE SMILES / InChI

Molecular Formula C7H12O2
Molecular Weight 128.169
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 05:46:12 GMT 2025
Edited
by admin
on Wed Apr 02 05:46:12 GMT 2025
Record UNII
8VZ3ZJD95E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Methoxy-3-methylene-2-pentanone
Systematic Name English
1-Methoxy-3-methylidene-pentan-2-one
Preferred Name English
2-Pentanone, 1-methoxy-3-methylene-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80971365
Created by admin on Wed Apr 02 05:46:12 GMT 2025 , Edited by admin on Wed Apr 02 05:46:12 GMT 2025
PRIMARY
PUBCHEM
13932051
Created by admin on Wed Apr 02 05:46:12 GMT 2025 , Edited by admin on Wed Apr 02 05:46:12 GMT 2025
PRIMARY
CAS
55956-45-1
Created by admin on Wed Apr 02 05:46:12 GMT 2025 , Edited by admin on Wed Apr 02 05:46:12 GMT 2025
PRIMARY
FDA UNII
8VZ3ZJD95E
Created by admin on Wed Apr 02 05:46:12 GMT 2025 , Edited by admin on Wed Apr 02 05:46:12 GMT 2025
PRIMARY