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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O
Molecular Weight 126.1962
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DIMETHYL-4-HEXENE-3-ONE

SMILES

CCC(=O)C(C)=C(C)C

InChI

InChIKey=CDMNXIBTIAFPBU-UHFFFAOYSA-N
InChI=1S/C8H14O/c1-5-8(9)7(4)6(2)3/h5H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C8H14O
Molecular Weight 126.1962
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 22:58:57 GMT 2025
Edited
by admin
on Tue Apr 01 22:58:57 GMT 2025
Record UNII
KKW7BV54ZL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DIMETHYL-4-HEXEN-3-ONE
Preferred Name English
4,5-DIMETHYL-4-HEXENE-3-ONE
Systematic Name English
4-HEXEN-3-ONE, 4,5-DIMETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
519408
Created by admin on Tue Apr 01 22:58:57 GMT 2025 , Edited by admin on Tue Apr 01 22:58:57 GMT 2025
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FDA UNII
KKW7BV54ZL
Created by admin on Tue Apr 01 22:58:57 GMT 2025 , Edited by admin on Tue Apr 01 22:58:57 GMT 2025
PRIMARY
CAS
17325-90-5
Created by admin on Tue Apr 01 22:58:57 GMT 2025 , Edited by admin on Tue Apr 01 22:58:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID70334006
Created by admin on Tue Apr 01 22:58:57 GMT 2025 , Edited by admin on Tue Apr 01 22:58:57 GMT 2025
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