Summary

IMPPAT Phytochemical identifier: IMPHY016359

Phytochemical name: 3-Ethyl-4-methyl-1-pentanol

Synonymous chemical names:
3-ethyl-4-methylpentanol

External chemical identifiers:
CID:59911029

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Chemical structure information

SMILES:
OCC[C@@H](C(C)C)CC

InChI:
InChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3/t8-/m0/s1

InChIKey:
RWIFVESHBHTZEM-QMMMGPOBSA-N

DeepSMILES:
OCC[C@@H]CC)C))CC

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.788

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Chemical structure download