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Details

Stereochemistry RACEMIC
Molecular Formula C16H28O2
Molecular Weight 252.3923
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of (5E)-12-(1-Ethoxyethoxy)-5-dodecen-3-yne

SMILES

CCOC(C)OCCCCCC\C=C\C#CCC

InChI

InChIKey=AFFLAKUHPBBSGC-CMDGGOBGSA-N
InChI=1S/C16H28O2/c1-4-6-7-8-9-10-11-12-13-14-15-18-16(3)17-5-2/h8-9,16H,4-5,10-15H2,1-3H3/b9-8+

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
(E)-12-(1-Ethoxyethoxy)dodec-5-en-3-yne
Preferred Name English
(5E)-12-(1-Ethoxyethoxy)-5-dodecen-3-yne
Systematic Name English
5-Dodecen-3-yne, 12-(1-ethoxyethoxy)-, (5E)
Systematic Name English
Code System Code Type Description
CAS
58763-67-0
Created by admin on Wed Apr 02 18:40:02 GMT 2025 , Edited by admin on Wed Apr 02 18:40:02 GMT 2025
PRIMARY
FDA UNII
F3XM7YW6RZ
Created by admin on Wed Apr 02 18:40:02 GMT 2025 , Edited by admin on Wed Apr 02 18:40:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID40886284
Created by admin on Wed Apr 02 18:40:02 GMT 2025 , Edited by admin on Wed Apr 02 18:40:02 GMT 2025
PRIMARY
PUBCHEM
6436838
Created by admin on Wed Apr 02 18:40:02 GMT 2025 , Edited by admin on Wed Apr 02 18:40:02 GMT 2025
PRIMARY
NIH
NCATS
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