U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H14O
Molecular Weight 114.1855
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIMETHYL-3-PENTANONE

SMILES

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

InChI

InChIKey=HXVNBWAKAOHACI-UHFFFAOYSA-N
InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3

HIDE SMILES / InChI

Molecular Formula C7H14O
Molecular Weight 114.1855
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Innovative reactions mediated by zirconocene.
2004
Direct preparation of allylic zirconium reagents from zirconocene-olefin complexes and alkenes.
2004 May 14
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions.
2005 Nov 11
Hydrogenation of hindered ketones catalyzed by a silica-supported compact phosphine-Rh system.
2008 Oct 16
The distal effect of electron-withdrawing groups and hydrogen bonding on the stability of peptide enolates.
2010 Apr 21
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:45:55 GMT 2023
Edited
by admin
on Fri Dec 15 19:45:55 GMT 2023
Record UNII
7AAP3A50IG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-DIMETHYL-3-PENTANONE
Systematic Name English
DIISOPROPYL KETONE
Systematic Name English
3-PENTANONE, 2,4-DIMETHYL-
Systematic Name English
ISOPROPYL KETONE
Systematic Name English
ISOBUTYRONE
Systematic Name English
2,4-DIMETHYLPENTAN-3-ONE
Systematic Name English
NSC-14662
Code English
Code System Code Type Description
CAS
565-80-0
Created by admin on Fri Dec 15 19:45:55 GMT 2023 , Edited by admin on Fri Dec 15 19:45:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID3038771
Created by admin on Fri Dec 15 19:45:55 GMT 2023 , Edited by admin on Fri Dec 15 19:45:55 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-294-7
Created by admin on Fri Dec 15 19:45:55 GMT 2023 , Edited by admin on Fri Dec 15 19:45:55 GMT 2023
PRIMARY
PUBCHEM
11271
Created by admin on Fri Dec 15 19:45:55 GMT 2023 , Edited by admin on Fri Dec 15 19:45:55 GMT 2023
PRIMARY
CHEBI
87754
Created by admin on Fri Dec 15 19:45:55 GMT 2023 , Edited by admin on Fri Dec 15 19:45:55 GMT 2023
PRIMARY
FDA UNII
7AAP3A50IG
Created by admin on Fri Dec 15 19:45:55 GMT 2023 , Edited by admin on Fri Dec 15 19:45:55 GMT 2023
PRIMARY
NSC
14662
Created by admin on Fri Dec 15 19:45:55 GMT 2023 , Edited by admin on Fri Dec 15 19:45:55 GMT 2023
PRIMARY