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Details

Stereochemistry ACHIRAL
Molecular Formula C13H24O4
Molecular Weight 244.3273
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diethyl hexylmalonate

SMILES

CCCCCCC(C(=O)OCC)C(=O)OCC

InChI

InChIKey=HSHMTDVEKPAEGS-UHFFFAOYSA-N
InChI=1S/C13H24O4/c1-4-7-8-9-10-11(12(14)16-5-2)13(15)17-6-3/h11H,4-10H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H24O4
Molecular Weight 244.3273
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 Sat Dec 16 12:04:30 GMT 2023
Edited
by admin
on Sat Dec 16 12:04:30 GMT 2023
Record UNII
KC6X952MMN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diethyl hexylmalonate
Systematic Name English
1,3-Diethyl 2-hexylpropanedioate
Systematic Name English
Propanedioic acid, hexyl-, diethyl ester
Systematic Name English
NSC-4571
Code English
Malonic acid, hexyl-, diethyl ester
Systematic Name English
Diethyl 2-hexylmalonate
Systematic Name English
Propanedioic acid, 2-hexyl-, 1,3-diethyl ester
Systematic Name English
Code System Code Type Description
NSC
4571
Created by admin on Sat Dec 16 12:04:30 GMT 2023 , Edited by admin on Sat Dec 16 12:04:30 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-425-3
Created by admin on Sat Dec 16 12:04:30 GMT 2023 , Edited by admin on Sat Dec 16 12:04:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID80202282
Created by admin on Sat Dec 16 12:04:30 GMT 2023 , Edited by admin on Sat Dec 16 12:04:30 GMT 2023
PRIMARY
CAS
5398-10-7
Created by admin on Sat Dec 16 12:04:30 GMT 2023 , Edited by admin on Sat Dec 16 12:04:30 GMT 2023
PRIMARY
PUBCHEM
79385
Created by admin on Sat Dec 16 12:04:30 GMT 2023 , Edited by admin on Sat Dec 16 12:04:30 GMT 2023
PRIMARY
FDA UNII
KC6X952MMN
Created by admin on Sat Dec 16 12:04:30 GMT 2023 , Edited by admin on Sat Dec 16 12:04:30 GMT 2023
PRIMARY