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Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-TERT-BUTYLCYCLOHEXANONE

SMILES

CC(C)(C)C1CCC(=O)CC1

InChI

InChIKey=YKFKEYKJGVSEIX-UHFFFAOYSA-N
InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:41:11 GMT 2025
Edited
by admin
on Mon Mar 31 21:41:11 GMT 2025
Record UNII
4M45G11K23
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-73717
Preferred Name English
4-TERT-BUTYLCYCLOHEXANONE
Systematic Name English
.GAMMA.-TERT-BUTYLCYCLOHEXANONE
Common Name English
CYCLOHEXANONE, 4-TERT-BUTYL-
Systematic Name English
CYCLOHEXANONE, P-TERT-BUTYL-
Systematic Name English
4-(1,1-DIMETHYLETHYL)CYCLOHEXANONE
Systematic Name English
P-TERT-BUTYLCYCLOHEXANONE
Common Name English
CYCLOHEXANONE, 4-(1,1-DIMETHYLETHYL)-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
202-678-5
Created by admin on Mon Mar 31 21:41:11 GMT 2025 , Edited by admin on Mon Mar 31 21:41:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID7044394
Created by admin on Mon Mar 31 21:41:11 GMT 2025 , Edited by admin on Mon Mar 31 21:41:11 GMT 2025
PRIMARY
PUBCHEM
7392
Created by admin on Mon Mar 31 21:41:11 GMT 2025 , Edited by admin on Mon Mar 31 21:41:11 GMT 2025
PRIMARY
NSC
73717
Created by admin on Mon Mar 31 21:41:11 GMT 2025 , Edited by admin on Mon Mar 31 21:41:11 GMT 2025
PRIMARY
CAS
98-53-3
Created by admin on Mon Mar 31 21:41:11 GMT 2025 , Edited by admin on Mon Mar 31 21:41:11 GMT 2025
PRIMARY
FDA UNII
4M45G11K23
Created by admin on Mon Mar 31 21:41:11 GMT 2025 , Edited by admin on Mon Mar 31 21:41:11 GMT 2025
PRIMARY