Summary

IMPPAT Phytochemical identifier: IMPHY017896

Phytochemical name: 2-Methyl-3-buten-1-ol

Synonymous chemical names:
2-methy-3-butenol

External chemical identifiers:
CID:94292, ChEBI:165505, SureChEMBL:SCHEMBL313933

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Chemical structure information

SMILES:
CC(C=C)CO

InChI:
InChI=1S/C5H10O/c1-3-5(2)4-6/h3,5-6H,1,4H2,2H3

InChIKey:
NVGOATMUHKIQQG-UHFFFAOYSA-N

DeepSMILES:
CCC=C))CO

Functional groups:
C=CC, 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: 2.118

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Chemical structure download