Summary

IMPPAT Phytochemical identifier: IMPHY009676

Phytochemical name: 3,4-Dimethylheptane

Synonymous chemical names:
3,4-dimethylheptane, heptane,3,4-dimethyl

External chemical identifiers:
CID:13534, SureChEMBL:SCHEMBL83902

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Chemical structure information

SMILES:
CCCC(C(CC)C)C

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

InChIKey:
MAKRYGRRIKSDES-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: 0.612

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Chemical structure download