Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002648

Phytochemical name: 2,4-Dimethylheptane

Synonymous chemical names:
2,4-dimethylheptane, 2,4-dimethyl heptane, 2,4-Dimethylheptane

External chemical identifiers:
CID:CID_16656, ChEBI:CHEBI:141558, SureChEMBL:SCHEMBL93159, MolPort-028-747-675

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Chemical structure information

SMILES:
CCCC(CC(C)C)C

InChI:
InChI=1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3

InChIKey:
AUKVIBNBLXQNIZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)C)))C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.722

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Chemical structure download