Summary

IMPPAT Phytochemical identifier: IMPHY016448

Phytochemical name: 4,5-Dimethyl-1-hexene

Synonymous chemical names:
4,5-dimethyl-1-hexene

External chemical identifiers:
CID:27683, ChEBI:87517, SureChEMBL:SCHEMBL4821004

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Chemical structure information

SMILES:
C=CCC(C(C)C)C

InChI:
InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h5,7-8H,1,6H2,2-4H3

InChIKey:
UFWIBUBEFUNVNI-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC)C))C

Functional groups:
C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Unsaturated aliphatic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.733

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Chemical structure download