Summary

IMPPAT Phytochemical identifier: IMPHY015351

Phytochemical name: 3-Methyldecane

Synonymous chemical names:
3-methyl-decane

External chemical identifiers:
CID:92239, SureChEMBL:SCHEMBL672720

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Chemical structure information

SMILES:
CCCCCCCC(CC)C

InChI:
InChI=1S/C11H24/c1-4-6-7-8-9-10-11(3)5-2/h11H,4-10H2,1-3H3

InChIKey:
JJRUZTXRDDMYGM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC))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: 1.012

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Chemical structure download