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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Pentylpentane-2,4-dione

SMILES

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

InChI

InChIKey=RSYGAEISWXZUKM-UHFFFAOYSA-N
InChI=1S/C10H18O2/c1-4-5-6-7-10(8(2)11)9(3)12/h10H,4-7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
3-Pentylpentane-2,4-dione
Systematic Name English
NSC-87949
Code English
2,4-Pentanedione, 3-pentyl-
Systematic Name English
AI3-19322
Code English
3-Pentyl-2,4-pentanedione
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID10182245
Created by admin on Sat Dec 16 12:16:52 GMT 2023 , Edited by admin on Sat Dec 16 12:16:52 GMT 2023
PRIMARY
CAS
27970-50-9
Created by admin on Sat Dec 16 12:16:52 GMT 2023 , Edited by admin on Sat Dec 16 12:16:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-754-1
Created by admin on Sat Dec 16 12:16:52 GMT 2023 , Edited by admin on Sat Dec 16 12:16:52 GMT 2023
PRIMARY
PUBCHEM
98194
Created by admin on Sat Dec 16 12:16:52 GMT 2023 , Edited by admin on Sat Dec 16 12:16:52 GMT 2023
PRIMARY
NSC
87949
Created by admin on Sat Dec 16 12:16:52 GMT 2023 , Edited by admin on Sat Dec 16 12:16:52 GMT 2023
PRIMARY
FDA UNII
ZJL7NZY4GE
Created by admin on Sat Dec 16 12:16:52 GMT 2023 , Edited by admin on Sat Dec 16 12:16:52 GMT 2023
PRIMARY