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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12O
Molecular Weight 100.1589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLPENTAN-3-ONE

SMILES

CCC(=O)C(C)C

InChI

InChIKey=HYTRYEXINDDXJK-UHFFFAOYSA-N
InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H12O
Molecular Weight 100.1589
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
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
Charge separation distance for flexible donor-bridge-acceptor systems after electron-transfer quenching.
2008 Aug 21
Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:34:50 GMT 2023
Edited
by admin
on Fri Dec 15 19:34:50 GMT 2023
Record UNII
0R392X5X26
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLPENTAN-3-ONE
Systematic Name English
Code System Code Type Description
WIKIPEDIA
Ethyl isopropyl ketone
Created by admin on Fri Dec 15 19:34:50 GMT 2023 , Edited by admin on Fri Dec 15 19:34:50 GMT 2023
PRIMARY
PUBCHEM
11265
Created by admin on Fri Dec 15 19:34:50 GMT 2023 , Edited by admin on Fri Dec 15 19:34:50 GMT 2023
PRIMARY
FDA UNII
0R392X5X26
Created by admin on Fri Dec 15 19:34:50 GMT 2023 , Edited by admin on Fri Dec 15 19:34:50 GMT 2023
PRIMARY
CAS
565-69-5
Created by admin on Fri Dec 15 19:34:50 GMT 2023 , Edited by admin on Fri Dec 15 19:34:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-288-4
Created by admin on Fri Dec 15 19:34:50 GMT 2023 , Edited by admin on Fri Dec 15 19:34:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID2073196
Created by admin on Fri Dec 15 19:34:50 GMT 2023 , Edited by admin on Fri Dec 15 19:34:50 GMT 2023
PRIMARY