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

Details

Stereochemistry MIXED
Molecular Formula C8H16O
Molecular Weight 128.212
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-Dimethyl-2-hexanone

SMILES

CCC(C)C(C)C(C)=O

InChI

InChIKey=YGXOERUAAWTDEV-UHFFFAOYSA-N
InChI=1S/C8H16O/c1-5-6(2)7(3)8(4)9/h6-7H,5H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-103150
Preferred Name English
3,4-Dimethyl-2-hexanone
Systematic Name English
2-Hexanone, 3,4-dimethyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
89184
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
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EPA CompTox
DTXSID30871301
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY
NSC
103150
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY
FDA UNII
PYU5QA4J6F
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY
CAS
19550-10-8
Created by admin on Wed Apr 02 12:15:11 GMT 2025 , Edited by admin on Wed Apr 02 12:15:11 GMT 2025
PRIMARY