Summary

IMPPAT Phytochemical identifier: IMPHY016390

Phytochemical name: 3-Methyltetradecane

Synonymous chemical names:
3-methyltetradecane

External chemical identifiers:
CID:86735, FDASRS:MSN3UE2UV3, SureChEMBL:SCHEMBL671909

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Chemical structure information

SMILES:
CCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C15H32/c1-4-6-7-8-9-10-11-12-13-14-15(3)5-2/h15H,4-14H2,1-3H3

InChIKey:
HXUYUZCPGPKNGS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC))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: 0.742

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Chemical structure download