Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018134

Phytochemical name: Cyclopropaneoctanal, 2-octyl-

Synonymous chemical names:
Cyclopropaneoctanal, 2-octyl-

External chemical identifiers:
CID:CID_550143

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Chemical structure information

SMILES:
CCCCCCCCC1CC1CCCCCCCC=O

InChI:
InChI=1S/C19H36O/c1-2-3-4-5-8-11-14-18-17-19(18)15-12-9-6-7-10-13-16-20/h16,18-19H,2-15,17H2,1H3

InChIKey:
CSYDLKXPSBGDIA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCC3CCCCCCCC=O

Functional groups:
CC=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC1

Scaffold Graph/Node level:
C1CC1

Scaffold Graph level:
C1CC1

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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: 1.352

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Chemical structure download