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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18O
Molecular Weight 178.2707
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOXYLITONE A

SMILES

CC(=O)\C=C1/CC(C)(C)CC(C)=C1

InChI

InChIKey=BPMFQXXZWSBLRP-WDZFZDKYSA-N
InChI=1S/C12H18O/c1-9-5-11(6-10(2)13)8-12(3,4)7-9/h5-6H,7-8H2,1-4H3/b11-6-

HIDE SMILES / InChI

Molecular Formula C12H18O
Molecular Weight 178.2707
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 Sat Dec 16 14:16:18 GMT 2023
Edited
by admin
on Sat Dec 16 14:16:18 GMT 2023
Record UNII
5KV090L59S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOXYLITONE A
Common Name English
(1E)-1-(3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE)-2-PROPANONE
Systematic Name English
1-(TRANS-2-OXOPROPYLIDENE)-3,5,5-TRIMETHYL-2-CYCLOHEXENE
Systematic Name English
2-PROPANONE, 1-(3,5,5-TRIMETHYL-2-CYCLOHEXEN-1-YLIDENE)-, (1E)-
Systematic Name English
Code System Code Type Description
CAS
16695-72-0
Created by admin on Sat Dec 16 14:16:18 GMT 2023 , Edited by admin on Sat Dec 16 14:16:18 GMT 2023
PRIMARY
PUBCHEM
5373876
Created by admin on Sat Dec 16 14:16:18 GMT 2023 , Edited by admin on Sat Dec 16 14:16:18 GMT 2023
PRIMARY
FDA UNII
5KV090L59S
Created by admin on Sat Dec 16 14:16:18 GMT 2023 , Edited by admin on Sat Dec 16 14:16:18 GMT 2023
PRIMARY