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Details

Stereochemistry RACEMIC
Molecular Formula C10H20O2
Molecular Weight 172.2646
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Methylpentyl isobutyrate

SMILES

CCC(C)CCOC(=O)C(C)C

InChI

InChIKey=LZNMQJJPLLZBLG-UHFFFAOYSA-N
InChI=1S/C10H20O2/c1-5-9(4)6-7-12-10(11)8(2)3/h8-9H,5-7H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C10H20O2
Molecular Weight 172.2646
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:19 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:19 GMT 2023
Record UNII
Y667RGF3QW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-Methylpentyl isobutyrate
Systematic Name English
3-Methylpentyl 2-methylpropanoate
Systematic Name English
Propanoic acid, 2-methyl-, 3-methylpentyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
Y667RGF3QW
Created by admin on Sat Dec 16 18:24:19 GMT 2023 , Edited by admin on Sat Dec 16 18:24:19 GMT 2023
PRIMARY
PUBCHEM
3019777
Created by admin on Sat Dec 16 18:24:19 GMT 2023 , Edited by admin on Sat Dec 16 18:24:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID201004512
Created by admin on Sat Dec 16 18:24:19 GMT 2023 , Edited by admin on Sat Dec 16 18:24:19 GMT 2023
PRIMARY
CAS
84254-84-2
Created by admin on Sat Dec 16 18:24:19 GMT 2023 , Edited by admin on Sat Dec 16 18:24:19 GMT 2023
PRIMARY