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Details

Stereochemistry ACHIRAL
Molecular Formula C8H14O2
Molecular Weight 142.1956
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-HEPTANEDIONE, 6-METHYL-

SMILES

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

InChI

InChIKey=IGMOYJSFRIASIE-UHFFFAOYSA-N
InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H14O2
Molecular Weight 142.1956
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:34:19 GMT 2023
Edited
by admin
on Fri Dec 15 19:34:19 GMT 2023
Record UNII
O97VUG08UB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-HEPTANEDIONE, 6-METHYL-
Systematic Name English
6-METHYL-2,4-HEPTANEDIONE
Systematic Name English
NSC-94
Code English
Code System Code Type Description
CAS
3002-23-1
Created by admin on Fri Dec 15 19:34:19 GMT 2023 , Edited by admin on Fri Dec 15 19:34:19 GMT 2023
PRIMARY
NSC
94
Created by admin on Fri Dec 15 19:34:19 GMT 2023 , Edited by admin on Fri Dec 15 19:34:19 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-093-6
Created by admin on Fri Dec 15 19:34:19 GMT 2023 , Edited by admin on Fri Dec 15 19:34:19 GMT 2023
PRIMARY
PUBCHEM
76354
Created by admin on Fri Dec 15 19:34:19 GMT 2023 , Edited by admin on Fri Dec 15 19:34:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID5062768
Created by admin on Fri Dec 15 19:34:19 GMT 2023 , Edited by admin on Fri Dec 15 19:34:19 GMT 2023
PRIMARY
FDA UNII
O97VUG08UB
Created by admin on Fri Dec 15 19:34:19 GMT 2023 , Edited by admin on Fri Dec 15 19:34:19 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT