Summary

IMPPAT Phytochemical identifier: IMPHY017088

Phytochemical name: Hex-1-en-3-yl butanoate

Synonymous chemical names:
hex-1-en-3-yl butanoate

External chemical identifiers:
CID:140045926

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Chemical structure information

SMILES:
CCCC(=O)OC(CCC)C=C

InChI:
InChI=1S/C10H18O2/c1-4-7-9(6-3)12-10(11)8-5-2/h6,9H,3-5,7-8H2,1-2H3

InChIKey:
NXOUIGADZIQHTM-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)OCCCC)))C=C

Functional groups:
C=CC, 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 diesters, Wax monoesters

NP-Likeness score: 1.379

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Chemical structure download