Summary

IMPPAT Phytochemical identifier: IMPHY017670

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

Synonymous chemical names:
2-methyl-1-buten-3-ol, 3-methyl-3-buten-2-ol

External chemical identifiers:
CID:66329, FDASRS:KG8M3UNR9E, SureChEMBL:SCHEMBL716194, MolPort-006-119-575

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Chemical structure information

SMILES:
CC(=C)C(O)C

InChI:
InChI=1S/C5H10O/c1-4(2)5(3)6/h5-6H,1H2,2-3H3

InChIKey:
JEYLKNVLTAPJAF-UHFFFAOYSA-N

DeepSMILES:
CC=C)CO)C

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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.415

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Chemical structure download