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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H16O2
Molecular Weight 156.2221
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-HYDROXY-4-METHYLCYCLOHEXYL)ETHANONE, (1R,2S,4R)-

SMILES

C[C@@H]1CC[C@H]([C@@H](O)C1)C(C)=O

InChI

InChIKey=VISJALGWOBQNEJ-YEPSODPASA-N
InChI=1S/C9H16O2/c1-6-3-4-8(7(2)10)9(11)5-6/h6,8-9,11H,3-5H2,1-2H3/t6-,8+,9+/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H16O2
Molecular Weight 156.2221
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 00:03:11 GMT 2025
Edited
by admin
on Wed Apr 02 00:03:11 GMT 2025
Record UNII
NUI1A21LMK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 4742, (1R,2S,4R)-
Preferred Name English
1-(2-HYDROXY-4-METHYLCYCLOHEXYL)ETHANONE, (1R,2S,4R)-
Systematic Name English
ETHANONE, 1-((1R,2S,4R)-2-HYDROXY-4-METHYLCYCLOHEXYL)-
Systematic Name English
KETONE, 2-HYDROXY-4-METHYLCYCLOHEXYL METHYL, (1R,2S,4R)-(+)-
Systematic Name English
1-((1R,2S,4R)-2-HYDROXY-4-METHYLCYCLOHEXYL)ETHANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
59752307
Created by admin on Wed Apr 02 00:03:11 GMT 2025 , Edited by admin on Wed Apr 02 00:03:11 GMT 2025
PRIMARY
CAS
20549-52-4
Created by admin on Wed Apr 02 00:03:11 GMT 2025 , Edited by admin on Wed Apr 02 00:03:11 GMT 2025
PRIMARY
FDA UNII
NUI1A21LMK
Created by admin on Wed Apr 02 00:03:11 GMT 2025 , Edited by admin on Wed Apr 02 00:03:11 GMT 2025
PRIMARY