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Details

Stereochemistry ACHIRAL
Molecular Formula C10H20O
Molecular Weight 156.2652
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-Dimethyl-3-octanone

SMILES

CCCCCC(=O)C(C)(C)C

InChI

InChIKey=FNSYCTJZGJAYCQ-UHFFFAOYSA-N
InChI=1S/C10H20O/c1-5-6-7-8-9(11)10(2,3)4/h5-8H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C10H20O
Molecular Weight 156.2652
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:18:21 GMT 2025
Edited
by admin
on Wed Apr 02 11:18:21 GMT 2025
Record UNII
77T9K4VFQ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-Dimethyl-3-octanone
Systematic Name English
NSC-933
Preferred Name English
tert-Butyl pentyl ketone
Systematic Name English
3-Octanone, 2,2-dimethyl-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90201564
Created by admin on Wed Apr 02 11:18:21 GMT 2025 , Edited by admin on Wed Apr 02 11:18:21 GMT 2025
PRIMARY
CAS
5340-64-7
Created by admin on Wed Apr 02 11:18:21 GMT 2025 , Edited by admin on Wed Apr 02 11:18:21 GMT 2025
PRIMARY
NSC
933
Created by admin on Wed Apr 02 11:18:21 GMT 2025 , Edited by admin on Wed Apr 02 11:18:21 GMT 2025
PRIMARY
PUBCHEM
138462
Created by admin on Wed Apr 02 11:18:21 GMT 2025 , Edited by admin on Wed Apr 02 11:18:21 GMT 2025
PRIMARY
FDA UNII
77T9K4VFQ4
Created by admin on Wed Apr 02 11:18:21 GMT 2025 , Edited by admin on Wed Apr 02 11:18:21 GMT 2025
PRIMARY