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Details

Stereochemistry MIXED
Molecular Formula C13H22O2
Molecular Weight 210.3126
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of 3,3,5-TRIMETHYL-4-(3-OXOBUTYL)CYCLOHEXANONE

SMILES

CC1CC(=O)CC(C)(C)C1CCC(C)=O

InChI

InChIKey=OMYHSWJSASVYAR-UHFFFAOYSA-N
InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h9,12H,5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C13H22O2
Molecular Weight 210.3126
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:12:10 GMT 2023
Edited
by admin
on Sat Dec 16 15:12:10 GMT 2023
Record UNII
0YK64D404D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,3,5-TRIMETHYL-4-(3-OXOBUTYL)CYCLOHEXANONE
Systematic Name English
CYCLOHEXANONE, 3,3,5-TRIMETHYL-4-(3-OXOBUTYL)-
Systematic Name English
Code System Code Type Description
CAS
133561-49-6
Created by admin on Sat Dec 16 15:12:10 GMT 2023 , Edited by admin on Sat Dec 16 15:12:10 GMT 2023
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FDA UNII
0YK64D404D
Created by admin on Sat Dec 16 15:12:10 GMT 2023 , Edited by admin on Sat Dec 16 15:12:10 GMT 2023
PRIMARY
PUBCHEM
102200031
Created by admin on Sat Dec 16 15:12:10 GMT 2023 , Edited by admin on Sat Dec 16 15:12:10 GMT 2023
PRIMARY