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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O
Molecular Weight 126.1962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,3-Dimethylcyclohexanone

SMILES

CC1(C)CCCC(=O)C1

InChI

InChIKey=ZVJQBBYAVPAFLX-UHFFFAOYSA-N
InChI=1S/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3,3-Dimethyl-1-cyclohexen-1-ol
Preferred Name English
3,3-Dimethylcyclohexanone
Systematic Name English
Cyclohexanone, 3,3-dimethyl-
Systematic Name English
3,3-Dimethylcyclohexan-1-one
Systematic Name English
Code System Code Type Description
CAS
2979-19-3
Created by admin on Wed Apr 02 20:28:51 GMT 2025 , Edited by admin on Wed Apr 02 20:28:51 GMT 2025
PRIMARY
CAS
2808025-40-1
Created by admin on Wed Apr 02 20:28:51 GMT 2025 , Edited by admin on Wed Apr 02 20:28:51 GMT 2025
ALTERNATIVE
PUBCHEM
76322
Created by admin on Wed Apr 02 20:28:51 GMT 2025 , Edited by admin on Wed Apr 02 20:28:51 GMT 2025
PRIMARY
FDA UNII
A6PJL95QHU
Created by admin on Wed Apr 02 20:28:51 GMT 2025 , Edited by admin on Wed Apr 02 20:28:51 GMT 2025
PRIMARY
NIH
NCATS
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