Summary

IMPPAT Phytochemical identifier: IMPHY017157

Phytochemical name: 3-Methyloctane

Synonymous chemical names:
3-methyloctane

External chemical identifiers:
CID:16664, SureChEMBL:SCHEMBL56366, MolPort-006-114-033

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Chemical structure information

SMILES:
CCCCCC(CC)C

InChI:
InChI=1S/C9H20/c1-4-6-7-8-9(3)5-2/h9H,4-8H2,1-3H3

InChIKey:
SEEOMASXHIJCDV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC))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: 1.119

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Chemical structure download