Summary
IMPPAT Phytochemical identifier: IMPHY006469
Phytochemical name: 2-Methyl-2-butanol
Synonymous chemical names:2-methyl-2-butanol, 2-methyl-butan-2-ol, 2-methylbutan-2-ol
External chemical identifiers:CID:6405, ChEMBL:CHEMBL44658, ChEBI:132750, ZINC:ZINC000001481970, FDASRS:69C393R11Z, SureChEMBL:SCHEMBL10721, MolPort-001-783-295
Chemical structure information
SMILES:
CCC(O)(C)CInChI:
InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3InChIKey:
MSXVEPNJUHWQHW-UHFFFAOYSA-NDeepSMILES:
CCCO)C)CFunctional groups:
CO
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire 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: 0.601
Chemical structure download