Summary

IMPPAT Phytochemical identifier: IMPHY016295

Phytochemical name: 2,2,4-Trimethylheptane

Synonymous chemical names:
2,2,4-trimethyl heptane

External chemical identifiers:
CID:26839, SureChEMBL:SCHEMBL597865, MolPort-047-400-888

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Chemical structure information

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

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

InChIKey:
IIYGOARYARWJBO-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: 0.335

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Chemical structure download