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CHEBI:87381 - 3-methylpentanol

Default Structure
ChEBI IDCHEBI:87381
ChEBI Name3-methylpentanol
Stars
DefinitionA primary alcohol that is pentanol substituted by a methyl group at position 3.
Last Modified1 September 2015
Submitternamrata
DownloadsMolfile
FormulaC6H14O
Net Charge0
Average Mass102.177
Monoisotopic Mass102.10447
SMILESCCC(C)CCO
InChIInChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
InChIKeyIWTBVKIGCDZRPL-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3-methylpentanol (CHEBI:87381) has role plant metabolite (CHEBI:76924)
3-methylpentanol (CHEBI:87381) is a primary alcohol (CHEBI:15734)
IUPAC Name 
3-methylpentan-1-ol
Synonym  Source
3-ethylbutanolChEBI
Registry NumbersSources
Reaxys:1718979Reaxys
CAS:589-35-5ChemIDplus
CAS:589-35-5NIST Chemistry WebBook
Citations