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Details

Stereochemistry ACHIRAL
Molecular Formula C8H16O2
Molecular Weight 144.2114
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-methylhexanoate

SMILES

COC(=O)CCCC(C)C

InChI

InChIKey=VMHVFMBDCWCBHO-UHFFFAOYSA-N
InChI=1S/C8H16O2/c1-7(2)5-4-6-8(9)10-3/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H16O2
Molecular Weight 144.2114
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 15:45:49 GMT 2023
Edited
by admin
on Sat Dec 16 15:45:49 GMT 2023
Record UNII
UA4G97FAB4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 5-methylhexanoate
Systematic Name English
5-Methylhexanoic acid methyl ester
Systematic Name English
Hexanoic acid, 5-methyl-, methyl ester
Systematic Name English
Methyl 5-methylcaproate
Systematic Name English
Code System Code Type Description
PUBCHEM
519894
Created by admin on Sat Dec 16 15:45:49 GMT 2023 , Edited by admin on Sat Dec 16 15:45:49 GMT 2023
PRIMARY
CAS
2177-83-5
Created by admin on Sat Dec 16 15:45:49 GMT 2023 , Edited by admin on Sat Dec 16 15:45:49 GMT 2023
PRIMARY
FDA UNII
UA4G97FAB4
Created by admin on Sat Dec 16 15:45:49 GMT 2023 , Edited by admin on Sat Dec 16 15:45:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID50334185
Created by admin on Sat Dec 16 15:45:49 GMT 2023 , Edited by admin on Sat Dec 16 15:45:49 GMT 2023
PRIMARY