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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-TERT-BUTYLCYCLOHEXANONE, (S)-

SMILES

CC(C)(C)[C@@H]1CCCCC1=O

InChI

InChIKey=ZRYDPLOWJSFQAE-MRVPVSSYSA-N
InChI=1S/C10H18O/c1-10(2,3)8-6-4-5-7-9(8)11/h8H,4-7H2,1-3H3/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 18:24:25 GMT 2025
Edited
by admin
on Mon Mar 31 18:24:25 GMT 2025
Record UNII
CIN066NC91
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-2-TERT-BUTYLCYCLOHEXANONE
Preferred Name English
2-TERT-BUTYLCYCLOHEXANONE, (S)-
Systematic Name English
CYCLOHEXANONE, 2-(1,1-DIMETHYLETHYL)-, (2S)-
Systematic Name English
(2S)-2-(1,1-DIMETHYLETHYL)CYCLOHEXANONE
Systematic Name English
CYCLOHEXANONE, 2-(1,1-DIMETHYLETHYL)-, (S)-
Systematic Name English
CYCLOHEXANONE, 2-TERT-BUTYL-, (-)-
Systematic Name English
Code System Code Type Description
CAS
14132-21-9
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
FDA UNII
CIN066NC91
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
PUBCHEM
7004919
Created by admin on Mon Mar 31 18:24:25 GMT 2025 , Edited by admin on Mon Mar 31 18:24:25 GMT 2025
PRIMARY
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