Summary

IMPPAT Phytochemical identifier: IMPHY016257

Phytochemical name: 3-Ethyl-2-methylheptane

Synonymous chemical names:
2-methyl-3-ethylheptane

External chemical identifiers:
CID:139803, SureChEMBL:SCHEMBL598482

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Chemical structure information

SMILES:
CCCCC(C(C)C)CC

InChI:
InChI=1S/C10H22/c1-5-7-8-10(6-2)9(3)4/h9-10H,5-8H2,1-4H3

InChIKey:
NKMJCVVUYDKHAV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC)C))CC

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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: 1.21

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Chemical structure download