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Details

Stereochemistry MIXED
Molecular Formula C14H26O5
Molecular Weight 274.3532
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(2-ETHYL-5-HYDROXY-HEXOXY)-6-OXO-HEXANOIC ACID

SMILES

CCC(CCC(C)O)COC(=O)CCCCC(O)=O

InChI

InChIKey=GUWFIYHOYMKEJE-UHFFFAOYSA-N
InChI=1S/C14H26O5/c1-3-12(9-8-11(2)15)10-19-14(18)7-5-4-6-13(16)17/h11-12,15H,3-10H2,1-2H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C14H26O5
Molecular Weight 274.3532
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:47:03 GMT 2025
Edited
by admin
on Mon Mar 31 22:47:03 GMT 2025
Record UNII
9WE40ISV2U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(2-ETHYL-5-HYDROXY-HEXOXY)-6-OXO-HEXANOIC ACID
Systematic Name English
HEXANEDIOIC ACID, MONO(2-ETHYL-5-HYDROXYHEXYL) ESTER
Preferred Name English
Code System Code Type Description
FDA UNII
9WE40ISV2U
Created by admin on Mon Mar 31 22:47:03 GMT 2025 , Edited by admin on Mon Mar 31 22:47:03 GMT 2025
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CAS
134998-71-3
Created by admin on Mon Mar 31 22:47:03 GMT 2025 , Edited by admin on Mon Mar 31 22:47:03 GMT 2025
PRIMARY
PUBCHEM
154455
Created by admin on Mon Mar 31 22:47:03 GMT 2025 , Edited by admin on Mon Mar 31 22:47:03 GMT 2025
PRIMARY
EPA CompTox
DTXSID30928844
Created by admin on Mon Mar 31 22:47:03 GMT 2025 , Edited by admin on Mon Mar 31 22:47:03 GMT 2025
PRIMARY