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Details

Stereochemistry RACEMIC
Molecular Formula C10H18O3
Molecular Weight 186.2481
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-HEXYL-5-KETO-1,4-DIOXANE

SMILES

CCCCCCC1COC(=O)CO1

InChI

InChIKey=KBOAQIXMCPQXIP-UHFFFAOYSA-N
InChI=1S/C10H18O3/c1-2-3-4-5-6-9-7-13-10(11)8-12-9/h9H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H18O3
Molecular Weight 186.2481
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 Mon Mar 31 20:37:05 GMT 2025
Edited
by admin
on Mon Mar 31 20:37:05 GMT 2025
Record UNII
P9EC4HV8X9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 2574, 5-KETO-
Preferred Name English
2-HEXYL-5-KETO-1,4-DIOXANE
Systematic Name English
1,4-DIOXAN-2-ONE, 5-HEXYL-
Systematic Name English
ACETIC ACID, ((1-(HYDROXYMETHYL)HEPTYL)OXY)-, .DELTA.-LACTONE
Common Name English
2-HEXYL-5-KETO-1,4-DIOXANE, (±)-
Systematic Name English
5-HEXYL-P-DIOXAN-2-ONE
Common Name English
(±)-2-HEXYL-5-KETO-1,4-DIOXANE
Systematic Name English
Code System Code Type Description
CAS
93691-78-2
Created by admin on Mon Mar 31 20:37:05 GMT 2025 , Edited by admin on Mon Mar 31 20:37:05 GMT 2025
PRIMARY
PUBCHEM
6455146
Created by admin on Mon Mar 31 20:37:05 GMT 2025 , Edited by admin on Mon Mar 31 20:37:05 GMT 2025
PRIMARY
FDA UNII
P9EC4HV8X9
Created by admin on Mon Mar 31 20:37:05 GMT 2025 , Edited by admin on Mon Mar 31 20:37:05 GMT 2025
PRIMARY