Summary

IMPPAT Phytochemical identifier: IMPHY011071

Phytochemical name: 3-Methylnonane

Synonymous chemical names:
3-methyl nonane, 3-methyl!nonane, 3-methylnonane

External chemical identifiers:
CID:22202, SureChEMBL:SCHEMBL402858

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Chemical structure information

SMILES:
CCCCCCC(CC)C

InChI:
InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3

InChIKey:
PLZDDPSCZHRBOY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 1.113

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Chemical structure download