Summary

IMPPAT Phytochemical identifier: IMPHY013294

Phytochemical name: Dimethyloctatriene

Synonymous chemical names:
dimethyloctatriene

External chemical identifiers:
CID:18680256, SureChEMBL:SCHEMBL1270642

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Chemical structure information

SMILES:
CC/C=C/C=C/C=C(C)C

InChI:
InChI=1S/C10H16/c1-4-5-6-7-8-9-10(2)3/h5-9H,4H2,1-3H3/b6-5+,8-7+

InChIKey:
NCIGMZODLBFTKN-BSWSSELBSA-N

DeepSMILES:
CC/C=C/C=C/C=CC)C

Functional groups:
C/C=C/C=C/C=C(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: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 2.643

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Chemical structure download