Summary

IMPPAT Phytochemical identifier: IMPHY016297

Phytochemical name: 2,2,8,8-Tetramethyl-5-nonanone

Synonymous chemical names:
2,2,8,8-tetramethyl-5-nonaanone

External chemical identifiers:
CID:546286, SureChEMBL:SCHEMBL8898363

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Chemical structure information

SMILES:
O=C(CCC(C)(C)C)CCC(C)(C)C

InChI:
InChI=1S/C13H26O/c1-12(2,3)9-7-11(14)8-10-13(4,5)6/h7-10H2,1-6H3

InChIKey:
IGJHCSFIFSZTTB-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC)C)C))))CCCC)C)C

Functional groups:
CC(C)=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: Hydrocarbons, Oxygenated hydrocarbons

NP-Likeness score: 0.144

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Chemical structure download