Summary

IMPPAT Phytochemical identifier: IMPHY017377

Phytochemical name: 4-Methyl-3-pentenyl

Synonymous chemical names:
4-methyl-3-penten-1-yl

External chemical identifiers:
CID:53628256

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Chemical structure information

SMILES:
[CH2-]C[C-]=C([CH2+])[CH2+]

InChI:
InChI=1S/C6H8/c1-4-5-6(2)3/h1-4H2

InChIKey:
RRSCOATZGKEZKA-UHFFFAOYSA-N

DeepSMILES:
[CH2-]C[C-]=C[CH2+])[CH2+]

Functional groups:
[CH2+]C([CH2+])=[C-]C

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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: Shikimates and Phenylpropanoids

NP-Likeness score: -0.091

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Chemical structure download