Summary

IMPPAT Phytochemical identifier: IMPHY015770

Phytochemical name: Isopropyl isovalerate

Synonymous chemical names:
iso-propyl iso-valerate, isoprenyl isovalerate, isopropyl 3-methyl butanoate, isopropyl 3-methylbutanoate

External chemical identifiers:
CID:61914, ZINC:ZINC000001850552, FDASRS:7EVG31L4J8, SureChEMBL:SCHEMBL127431

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Chemical structure information

SMILES:
CC(CC(=O)OC(C)C)C

InChI:
InChI=1S/C8H16O2/c1-6(2)5-8(9)10-7(3)4/h6-7H,5H2,1-4H3

InChIKey:
ZOIRKXLFEHOVER-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCC)C)))))C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.027

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Chemical structure download