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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H8O
Molecular Weight 96.1271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-METHYL-1-PENTYN-3-ONE

SMILES

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

InChI

InChIKey=KLQCAVMGXXCQHN-UHFFFAOYSA-N
InChI=1S/C6H8O/c1-4-6(7)5(2)3/h1,5H,2-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-METHYL-1-PENTYN-3-ONE
Systematic Name English
1-PENTYN-3-ONE, 4-METHYL-
Systematic Name English
4-METHYLPENTYN-3-ONE
Systematic Name English
ETHYNYL ISOPROPYL KETONE
Common Name English
NSC-96445
Code English
Code System Code Type Description
PUBCHEM
139488
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID40159309
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY
NSC
96445
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY
CAS
13531-82-3
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY
FDA UNII
Z8DQ99H49M
Created by admin on Sat Dec 16 19:13:12 GMT 2023 , Edited by admin on Sat Dec 16 19:13:12 GMT 2023
PRIMARY