Summary

IMPPAT Phytochemical identifier: IMPHY017463

Phytochemical name: 2-Methyl-4-octyne

Synonymous chemical names:
4-0ctyne,2-methyl

External chemical identifiers:
CID:548928, SureChEMBL:SCHEMBL2568081

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Chemical structure information

SMILES:
CCCC#CCC(C)C

InChI:
InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h9H,4-5,8H2,1-3H3

InChIKey:
MBLOALSHICMMKJ-UHFFFAOYSA-N

DeepSMILES:
CCCC#CCCC)C

Functional groups:
CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Acetylenes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.955

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Chemical structure download