Summary

IMPPAT Phytochemical identifier: IMPHY005938

Phytochemical name: 3,5,5-Trimethyl-2-hexene

Synonymous chemical names:
3,5,5,trimethyl-2-hexene

External chemical identifiers:
CID:5365055, SureChEMBL:SCHEMBL790349

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Chemical structure information

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

InChI:
InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6H,7H2,1-5H3/b8-6+

InChIKey:
MXAFMRHRWMAVRM-SOFGYWHQSA-N

DeepSMILES:
C/C=C/CCC)C)C)))C

Functional groups:
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: 0.726

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Chemical structure download