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Details

Stereochemistry RACEMIC
Molecular Formula C14H22O
Molecular Weight 206.3239
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-3-BUTENAL, (3E)-

SMILES

CC(C=O)\C=C\C1=C(C)CCCC1(C)C

InChI

InChIKey=HVDGAAPQCCUWDO-BQYQJAHWSA-N
InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7-8,10-11H,5-6,9H2,1-4H3/b8-7+

HIDE SMILES / InChI

Molecular Formula C14H22O
Molecular Weight 206.3239
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:17:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:17:28 GMT 2023
Record UNII
6ZO69777WP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-3-BUTENAL, (3E)-
Systematic Name English
3-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (3E)-
Systematic Name English
3-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
6438312
Created by admin on Sat Dec 16 10:17:28 GMT 2023 , Edited by admin on Sat Dec 16 10:17:28 GMT 2023
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FDA UNII
6ZO69777WP
Created by admin on Sat Dec 16 10:17:28 GMT 2023 , Edited by admin on Sat Dec 16 10:17:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID10860475
Created by admin on Sat Dec 16 10:17:28 GMT 2023 , Edited by admin on Sat Dec 16 10:17:28 GMT 2023
PRIMARY
CAS
56013-05-9
Created by admin on Sat Dec 16 10:17:28 GMT 2023 , Edited by admin on Sat Dec 16 10:17:28 GMT 2023
PRIMARY