U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H18O
Molecular Weight 154.2493
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TERT-BUTYLCYCLOHEXANONE

SMILES

CC(C)(C)C1CCCC(=O)C1

InChI

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

HIDE SMILES / InChI

Molecular Formula C10H18O
Molecular Weight 154.2493
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:00:06 GMT 2023
Edited
by admin
on Sat Dec 16 08:00:06 GMT 2023
Record UNII
GB5DSJ5DKM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-TERT-BUTYLCYCLOHEXANONE
Systematic Name English
3-(1,1-Dimethylethyl)cyclohexanone
Systematic Name English
NSC-103145
Code English
Cyclohexanone, 3-(1,1-dimethylethyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
136750
Created by admin on Sat Dec 16 08:00:06 GMT 2023 , Edited by admin on Sat Dec 16 08:00:06 GMT 2023
PRIMARY
FDA UNII
GB5DSJ5DKM
Created by admin on Sat Dec 16 08:00:06 GMT 2023 , Edited by admin on Sat Dec 16 08:00:06 GMT 2023
PRIMARY
NSC
103145
Created by admin on Sat Dec 16 08:00:06 GMT 2023 , Edited by admin on Sat Dec 16 08:00:06 GMT 2023
PRIMARY
CAS
936-99-2
Created by admin on Sat Dec 16 08:00:06 GMT 2023 , Edited by admin on Sat Dec 16 08:00:06 GMT 2023
PRIMARY