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Details

Stereochemistry ACHIRAL
Molecular Formula C13H20O
Molecular Weight 192.2973
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE, (2Z)-

SMILES

C\C=C/CC1=C(C)C(=O)CCC1(C)C

InChI

InChIKey=CVDHBGKYPTUEAA-WAYWQWQTSA-N
InChI=1S/C13H20O/c1-5-6-7-11-10(2)12(14)8-9-13(11,3)4/h5-6H,7-9H2,1-4H3/b6-5-

HIDE SMILES / InChI

Molecular Formula C13H20O
Molecular Weight 192.2973
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 19:28:58 UTC 2023
Edited
by admin
on Fri Dec 15 19:28:58 UTC 2023
Record UNII
HLT92D5DPQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE, (2Z)-
Systematic Name English
MEGASTIGMA-5,8(Z)-DIEN-4-ONE
Common Name English
(Z)-3-(2-BUTENYL)-2,4,4-TRIMETHYLCYCLOHEX-2-EN-1-ONE
Systematic Name English
CYCLOHEXEN-1-ONE, 3-(2Z)-2-BUTENYL-2,4,4-TRIMETHYL-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
266-682-9
Created by admin on Fri Dec 15 19:28:58 UTC 2023 , Edited by admin on Fri Dec 15 19:28:58 UTC 2023
PRIMARY
PUBCHEM
14109911
Created by admin on Fri Dec 15 19:28:58 UTC 2023 , Edited by admin on Fri Dec 15 19:28:58 UTC 2023
PRIMARY
FDA UNII
HLT92D5DPQ
Created by admin on Fri Dec 15 19:28:58 UTC 2023 , Edited by admin on Fri Dec 15 19:28:58 UTC 2023
PRIMARY
CAS
67401-25-6
Created by admin on Fri Dec 15 19:28:58 UTC 2023 , Edited by admin on Fri Dec 15 19:28:58 UTC 2023
PRIMARY