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Details

Stereochemistry RACEMIC
Molecular Formula C7H12O
Molecular Weight 112.1696
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYLCYCLOHEXANONE

SMILES

CC1CCCC(=O)C1

InChI

InChIKey=UJBOOUHRTQVGRU-UHFFFAOYSA-N
InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C7H12O
Molecular Weight 112.1696
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Probing enantioselectivity on chirally modified Cu(110), Cu(100), and Cu(111) surfaces.
2010-11-02
Asymmetric total syntheses of cyclic nitrone-containing phlegmarine-type Lycopodium alkaloids, lycoposerramines-X and -Z.
2009-11-20
Enaminones 10. Molecular modeling aspects of the 5-methylcyclohexenone derivatives.
2009-07-15
Synthetic studies of the zoanthamine alkaloids: the total syntheses of norzoanthamine and zoanthamine.
2009-07-06
Total synthesis of grandisine D.
2009-03-05
Total synthesis of (+)-neomarinone.
2009
Nitration versus nitrosation chemistry of menthofuran: remarkable fragmentation and dimerization pathways and expeditious entry into dehydromenthofurolactone.
2007-12-21
Stepwise acid-promoted double-Michael process: an alternative to Diels-Alder cycloadditions for hindered silyloxydiene-dienophile pairs.
2007-01-18
Do alpha-acyloxy and alpha-alkoxycarbonyloxy radicals fragment to form acyl and alkoxycarbonyl radicals?
2006-05-25
Enolate structure and electron affinity.
2005-10-06
Enantioselective separation on a naturally chiral surface.
2004-11-17
Tetrahydroacridin-9-ones, 9-chlorotetrahydroacridines, 9-amino-tetrahydroacridines and 9-(pyrazol-1-yl)-tetrahydroacridines derived from chiral cyclanones.
2004-01
Enantiospecific desorption of chiral compounds from chiral Cu(643) and achiral Cu(111) surfaces.
2002-03-13
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:13:41 GMT 2025
Edited
by admin
on Mon Mar 31 20:13:41 GMT 2025
Record UNII
255L4HTY2B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYLCYCLOHEXANONE
FHFI  
Systematic Name English
FEMA NO. 3947
Preferred Name English
3-METHYLCYCLOHEXANONE [FHFI]
Common Name English
CYCLOHEXANONE, 3-METHYL- (+)
Common Name English
(RS)-3-METHYLCYCLOHEXANONE
Systematic Name English
(±)-3-METHYLCYCLOHEXANONE
Systematic Name English
CYCLOHEXANONE, 3-METHYL-
Systematic Name English
3-METHYL-1-CYCLOHEXANONE
Systematic Name English
NSC-3709
Code English
Classification Tree Code System Code
JECFA EVALUATION 3-METHYLCYCLOHEXANONE
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
Code System Code Type Description
EPA CompTox
DTXSID50862256
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
PRIMARY
JECFA MONOGRAPH
1035
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
PRIMARY
PUBCHEM
11567
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
PRIMARY
CAS
591-24-2
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
PRIMARY
FDA UNII
255L4HTY2B
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
PRIMARY
ECHA (EC/EINECS)
209-710-7
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
PRIMARY
NSC
3709
Created by admin on Mon Mar 31 20:13:41 GMT 2025 , Edited by admin on Mon Mar 31 20:13:41 GMT 2025
PRIMARY