Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000445

Phytochemical name: Nonanal

Synonymous chemical names:
Pelargonaldehyde, Nonyl aldehyde, n-Nonanal, n-nonanal, 1-nonanal, Nonanal, nonyl aldehyde, nonanal, pelargonaldehyde, nonanal*, Nonylaldehyde, nonylaldehyde, nonyladehyde

External chemical identifiers:
CID:CID_31289, ChEMBL:CHEMBL2228376, ChEBI:CHEBI:84268, ZINC:ZINC000001686990, FDASRS:2L2WBY9K6T, SureChEMBL:SCHEMBL22860, MolPort-001-783-881

---

Chemical structure information

SMILES:
CCCCCCCCC=O

InChI:
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3

InChIKey:
GYHFUZHODSMOHU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O

Functional groups:
CC=O

Link to spectral information:
MSBNK-Athens_Univ-AU503001, MSBNK-Fac_Eng_Univ_Tokyo-JP008767

---

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: 1.387

---

Chemical structure download