Summary

IMPPAT Phytochemical identifier: IMPHY005818

Phytochemical name: 3-Methyl-3-buten-1-OL

Synonymous chemical names:
3-methyl-3-buten-1-ol, 3-methyl-but-3-en-1-ol, 3-methylbut-3-en-1-ol

External chemical identifiers:
CID:12988, ChEMBL:CHEMBL3561140, ChEBI:62898, ZINC:ZINC000001712065, FDASRS:KJ25C8CPFA, SureChEMBL:SCHEMBL24126, MolPort-003-926-226

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Chemical structure information

SMILES:
CC(=C)CCO

InChI:
InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3

InChIKey:
CPJRRXSHAYUTGL-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCO

Functional groups:
C=C(C)C, 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, Terpenoids

NP Classifier Superclass: Fatty acyls, Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids, Fatty alcohols

NP-Likeness score: 1.508

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Chemical structure download