Summary

IMPPAT Phytochemical identifier: IMPHY016287

Phytochemical name: 2-Propylhept-2-enal

Synonymous chemical names:
2-propyl-hept-2-enal

External chemical identifiers:
CID:118745, SureChEMBL:SCHEMBL381857

---

Chemical structure information

SMILES:
CCCCC=C(CCC)C=O

InChI:
InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3

InChIKey:
GADNZGQWPNTMCH-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CCCC)))C=O

Functional groups:
CC=C(C)C=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.901

---

Chemical structure download