Summary

IMPPAT Phytochemical identifier: IMPHY017079

Phytochemical name: CC(Ccccc=O)cccc(C)C

Synonymous chemical names:
6,10-dimethyl undecanal

External chemical identifiers:
CID:13828371, SureChEMBL:SCHEMBL18092218

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Chemical structure information

SMILES:
O=CCCCCC(CCCC(C)C)C

InChI:
InChI=1S/C13H26O/c1-12(2)8-7-10-13(3)9-5-4-6-11-14/h11-13H,4-10H2,1-3H3

InChIKey:
NDGNKIKTHOVSTB-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCCCCCCC)C)))))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: 1.569

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Chemical structure download