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Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2,6-Trimethylheptane-3,5-dione

SMILES

CC(C)C(=O)CC(=O)C(C)(C)C

InChI

InChIKey=KLKRGCUPZROPPO-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-7(2)8(11)6-9(12)10(3,4)5/h7H,6H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
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 19:19:53 GMT 2025
Edited
by admin
on Tue Apr 01 19:19:53 GMT 2025
Record UNII
XGL4NZY3SH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2,6-Trimethylheptane-3,5-dione
Systematic Name English
NSC-18755
Preferred Name English
3,5-Heptanedione, 2,2,6-trimethyl-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70223562
Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025
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FDA UNII
XGL4NZY3SH
Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025
PRIMARY
CAS
7333-23-5
Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025
PRIMARY
PUBCHEM
81780
Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025
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ECHA (EC/EINECS)
230-833-7
Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025
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NSC
18755
Created by admin on Tue Apr 01 19:19:53 GMT 2025 , Edited by admin on Tue Apr 01 19:19:53 GMT 2025
PRIMARY