Summary

IMPPAT Phytochemical identifier: IMPHY016229

Phytochemical name: 2-Ethyl-4-pentenal

Synonymous chemical names:
2-ethyl-4-pentenal

External chemical identifiers:
CID:21264, SureChEMBL:SCHEMBL2163231

---

Chemical structure information

SMILES:
C=CCC(C=O)CC

InChI:
InChI=1S/C7H12O/c1-3-5-7(4-2)6-8/h3,6-7H,1,4-5H2,2H3

InChIKey:
UADJTDURPOSPRM-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=O))CC

Functional groups:
C=CC, CC=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.544

---

Chemical structure download