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Details

Stereochemistry MIXED
Molecular Formula C12H22O
Molecular Weight 182.3025
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(3,3,5-Trimethylcyclohexyl)propan-1-one

SMILES

CCC(=O)C1CC(C)CC(C)(C)C1

InChI

InChIKey=AQNZBQGJMZUXQX-UHFFFAOYSA-N
InChI=1S/C12H22O/c1-5-11(13)10-6-9(2)7-12(3,4)8-10/h9-10H,5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C12H22O
Molecular Weight 182.3025
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 Wed Apr 02 20:30:34 GMT 2025
Edited
by admin
on Wed Apr 02 20:30:34 GMT 2025
Record UNII
2P5QG93EZR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(3,3,5-Trimethylcyclohexyl)propan-1-one
Systematic Name English
1-Propanone, 1-(3,3,5-trimethylcyclohexyl)-
Preferred Name English
Code System Code Type Description
CAS
84604-38-6
Created by admin on Wed Apr 02 20:30:34 GMT 2025 , Edited by admin on Wed Apr 02 20:30:34 GMT 2025
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PUBCHEM
3019975
Created by admin on Wed Apr 02 20:30:34 GMT 2025 , Edited by admin on Wed Apr 02 20:30:34 GMT 2025
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EPA CompTox
DTXSID201004881
Created by admin on Wed Apr 02 20:30:34 GMT 2025 , Edited by admin on Wed Apr 02 20:30:34 GMT 2025
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FDA UNII
2P5QG93EZR
Created by admin on Wed Apr 02 20:30:34 GMT 2025 , Edited by admin on Wed Apr 02 20:30:34 GMT 2025
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