Summary

IMPPAT Phytochemical identifier: IMPHY007162

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

Synonymous chemical names:
2-methyl-3-buten-2-ol, 2-methyl-but-3-en-2-ol, 2-methylbut-3-en-2-ol

External chemical identifiers:
CID:8257, ChEMBL:CHEMBL4245903, ChEBI:132752, ZINC:ZINC000001733761, FDASRS:SH64HE46L9, SureChEMBL:SCHEMBL129187, MolPort-001-792-058

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Chemical structure information

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

InChI:
InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3

InChIKey:
HNVRRHSXBLFLIG-UHFFFAOYSA-N

DeepSMILES:
C=CCO)C)C

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: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.584

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Chemical structure download