Summary

IMPPAT Phytochemical identifier: IMPHY017256

Phytochemical name: 4-Methylnonane

Synonymous chemical names:
4-methylnonane

External chemical identifiers:
CID:28455, SureChEMBL:SCHEMBL323637

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Chemical structure information

SMILES:
CCCCCC(CCC)C

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

InChIKey:
IALRSQMWHFKJJA-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: 1.039

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Chemical structure download