Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer (MM2 minimum energy of E and Z are 5.5361 and 9.0617 kcal/mol respectively) |
SHOW SMILES / InChI
SMILES
CCCC(=O)\C=C\C
InChI
InChIKey=TXVAOITYBBWKMG-HWKANZROSA-N
InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3,5H,4,6H2,1-2H3/b5-3+
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| 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
Edited
Mon Mar 31 18:49:17 GMT 2025
by
admin
on
Mon Mar 31 18:49:17 GMT 2025
|
| Record UNII |
RSJ7CM9MIK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
JECFA EVALUATION |
2-HEPTEN-4-ONE
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
32397-56-1
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
PRIMARY | |||
|
DTXSID20885533
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
PRIMARY | |||
|
RSJ7CM9MIK
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
PRIMARY | |||
|
1058
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
PRIMARY | |||
|
225-070-1
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
PRIMARY | |||
|
5463238
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
PRIMARY | |||
|
4643-25-8
Created by
admin on Mon Mar 31 18:49:17 GMT 2025 , Edited by admin on Mon Mar 31 18:49:17 GMT 2025
|
NON-SPECIFIC STEREOCHEMISTRY |