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Details

Stereochemistry RACEMIC
Molecular Formula C11H20O
Molecular Weight 168.2759
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-TERT-PENTYLCYCLOHEXANONE

SMILES

CCC(C)(C)C1CCCCC1=O

InChI

InChIKey=HDPFRPKEWXMMQO-UHFFFAOYSA-N
InChI=1S/C11H20O/c1-4-11(2,3)9-7-5-6-8-10(9)12/h9H,4-8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H20O
Molecular Weight 168.2759
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:29:58 GMT 2025
Edited
by admin
on Mon Mar 31 23:29:58 GMT 2025
Record UNII
O9099D9OXM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-TERT-PENTYLCYCLOHEXANONE
Systematic Name English
NSC-21164
Preferred Name English
CYCLOHEXANONE, 2-(1,1-DIMETHYLPROPYL)-
Systematic Name English
2-ISOPENTYLCYCLOHEXANONE
Systematic Name English
CYCLOHEXANONE, 2-TERT-PENTYL-
Systematic Name English
Code System Code Type Description
CAS
5441-54-3
Created by admin on Mon Mar 31 23:29:58 GMT 2025 , Edited by admin on Mon Mar 31 23:29:58 GMT 2025
PRIMARY
PUBCHEM
228337
Created by admin on Mon Mar 31 23:29:58 GMT 2025 , Edited by admin on Mon Mar 31 23:29:58 GMT 2025
PRIMARY
FDA UNII
O9099D9OXM
Created by admin on Mon Mar 31 23:29:58 GMT 2025 , Edited by admin on Mon Mar 31 23:29:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID30281289
Created by admin on Mon Mar 31 23:29:58 GMT 2025 , Edited by admin on Mon Mar 31 23:29:58 GMT 2025
PRIMARY
NSC
21164
Created by admin on Mon Mar 31 23:29:58 GMT 2025 , Edited by admin on Mon Mar 31 23:29:58 GMT 2025
PRIMARY