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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H26O
Molecular Weight 198.3449
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Tridecanone

SMILES

CCCCCCCCCC(=O)CCC

InChI

InChIKey=JWSRUPAFLPWLNO-UHFFFAOYSA-N
InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3-12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H26O
Molecular Weight 198.3449
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 Tue Apr 01 19:41:58 GMT 2025
Edited
by admin
on Tue Apr 01 19:41:58 GMT 2025
Record UNII
Q63W356HC2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Tridecanone
Systematic Name English
Tridecan-4-one
Preferred Name English
NSC-158500
Code English
Nonyl propyl ketone
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
247-519-0
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
FDA UNII
Q63W356HC2
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
NSC
158500
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
PUBCHEM
98673
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID80180854
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY
CAS
26215-90-7
Created by admin on Tue Apr 01 19:41:58 GMT 2025 , Edited by admin on Tue Apr 01 19:41:58 GMT 2025
PRIMARY