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

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 CYCLOHEXYL METHYL KETONE

SMILES

CC(=O)C1CCCCC1

InChI

InChIKey=RIFKADJTWUGDOV-UHFFFAOYSA-N
InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h8H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C8H14O
Molecular Weight 126.1962
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Computational study of the factors controlling enantioselectivity in ruthenium(II) hydrogenation catalysts.
2008 Apr 7
Simple in situ monitoring of a complex catalytic reaction network at high pressure by attenuated total reflection Fourier transform infrared spectroscopy.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:31:23 GMT 2023
Edited
by admin
on Fri Dec 15 18:31:23 GMT 2023
Record UNII
U53404H6B8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXYL METHYL KETONE
Systematic Name English
ACETYLCYCLOHEXANE
Systematic Name English
NSC-16249
Code English
1-CYCLOHEXYLETHAN-1-ONE
Systematic Name English
ETHANONE, 1-CYCLOHEXYL-
Systematic Name English
HEXAHYDROACETOPHENONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40231674
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
PRIMARY
CAS
823-76-7
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-517-0
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
PRIMARY
FDA UNII
U53404H6B8
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
PRIMARY
PUBCHEM
13207
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
PRIMARY
NSC
16249
Created by admin on Fri Dec 15 18:31:23 GMT 2023 , Edited by admin on Fri Dec 15 18:31:23 GMT 2023
PRIMARY