Summary

IMPPAT Phytochemical identifier: IMPHY016281

Phytochemical name: 2-Methylundecanal

Synonymous chemical names:
2-methylundecanal

External chemical identifiers:
CID:61031, ChEMBL:CHEMBL3182849, FDASRS:S94QNS2VY5, SureChEMBL:SCHEMBL22700, MolPort-001-792-102

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Chemical structure information

SMILES:
CCCCCCCCCC(C=O)C

InChI:
InChI=1S/C12H24O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h11-12H,3-10H2,1-2H3

InChIKey:
NFAVNWJJYQAGNB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC=O))C

Functional groups:
CC=O

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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: 1.449

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Chemical structure download