Summary

IMPPAT Phytochemical identifier: IMPHY006565

Phytochemical name: 2-Methyl-2-buten-1-OL

Synonymous chemical names:
(e)-2-methyl-2-buten-1-ol, 2-methyl-2-buten-1-ol, 2-methyl-but-2-en-1-al

External chemical identifiers:
CID:6433417, ZINC:ZINC000002037668, FDASRS:FF5W0ROP10, SureChEMBL:SCHEMBL10666, MolPort-044-652-236

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Chemical structure information

SMILES:
C/C(=CC)/CO

InChI:
InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+

InChIKey:
NEJDKFPXHQRVMV-HWKANZROSA-N

DeepSMILES:
C/C=CC))/CO

Functional groups:
C/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

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.466

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Chemical structure download