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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H26O2
Molecular Weight 250.3764
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-ISOMETHYLIONYL ACETATE, (2S)-(-)-

SMILES

C[C@H](OC(C)=O)C(\C)=C\[C@@H]1C(C)=CCCC1(C)C

InChI

InChIKey=TYUPZTIJMKMYHL-YLNVSZPXSA-N
InChI=1S/C16H26O2/c1-11-8-7-9-16(5,6)15(11)10-12(2)13(3)18-14(4)17/h8,10,13,15H,7,9H2,1-6H3/b12-10+/t13-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H26O2
Molecular Weight 250.3764
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:02:50 GMT 2023
Edited
by admin
on Sat Dec 16 01:02:50 GMT 2023
Record UNII
14JNU3X58I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-ISOMETHYLIONYL ACETATE, (2S)-(-)-
Common Name English
FEMA NO. 3845, (2S)-(-)-
Code English
3-BUTEN-2-OL, 3-METHYL-4-((1S)-2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-, 2-ACETATE, (2S,3E)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20241534
Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023
PRIMARY
PUBCHEM
71587889
Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023
PRIMARY
CAS
945760-23-6
Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023
PRIMARY
FDA UNII
14JNU3X58I
Created by admin on Sat Dec 16 01:02:50 GMT 2023 , Edited by admin on Sat Dec 16 01:02:50 GMT 2023
PRIMARY