Summary

IMPPAT Phytochemical identifier: IMPHY017092

Phytochemical name: 3,3,4-Trimethylheptane

Synonymous chemical names:
3,3,4-trimethylheptane

External chemical identifiers:
CID:140668, SureChEMBL:SCHEMBL599087

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Chemical structure information

SMILES:
CCCC(C(CC)(C)C)C

InChI:
InChI=1S/C10H22/c1-6-8-9(3)10(4,5)7-2/h9H,6-8H2,1-5H3

InChIKey:
WRBHKVWLEIYLDZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC))C)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: 0.854

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Chemical structure download