Summary

IMPPAT Phytochemical identifier: IMPHY012150

Phytochemical name: 2-Methyloctadecane

Synonymous chemical names:
2-methyl octadecane, 2-methyl-octadecane, 2-methyloctadecane

External chemical identifiers:
CID:15264, ZINC:ZINC000100104885, SureChEMBL:SCHEMBL2449284

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3

InChIKey:
KVQVGSDBGJXNGV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC)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: 0.351

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Chemical structure download