Summary

IMPPAT Phytochemical identifier: IMPHY005846

Phytochemical name: 1-Hepten-5-yne, 2-methyl-3-methylene-

Synonymous chemical names:
2-methyl-3-methylene-5-heptane

External chemical identifiers:
CID:569164

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Chemical structure information

SMILES:
CC#CCC(=C)C(=C)C

InChI:
InChI=1S/C9H12/c1-5-6-7-9(4)8(2)3/h2,4,7H2,1,3H3

InChIKey:
MYTVFGSTXPHJTF-UHFFFAOYSA-N

DeepSMILES:
CC#CCC=C)C=C)C

Functional groups:
C=C(C)C(=C)C, CC#CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.926

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Chemical structure download