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CHEBI:50031 - α-thujene

ChEBI IDCHEBI:50031
ChEBI Nameα-thujene
Stars
ASCII Namealpha-thujene
DefinitionA thujene that has a bicyclo[3.1.0]hex-2-ene skeleton which is substituted at positions 2 and 5 by methyl and isopropyl groups, respectively.
Last Modified9 September 2021
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H16
Net Charge0
Average Mass136.238
Monoisotopic Mass136.12520
SMILESCC1=CCC2(C(C)C)CC12
InChIInChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
InChIKeyKQAZVFVOEIRWHN-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
α-thujene (CHEBI:50031) is a thujene (CHEBI:50030)
Incoming Relation(s)
(+)-α-thujene (CHEBI:50032) is a α-thujene (CHEBI:50031)
(−)-α-thujene (CHEBI:50033) is a α-thujene (CHEBI:50031)
IUPAC Names 
2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene
5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene
Synonyms  Source
5-isopropyl-2-methylbicyclo[3.1.0]hex-2-eneNIST Chemistry WebBook
2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-eneNIST Chemistry WebBook
α-ThujenChEBI
α-thuieneNIST Chemistry WebBook
origaneneNIST Chemistry WebBook
UniProt Name  Source
α-thujeneUniProt
Manual XrefsDatabases
ThujeneWikipedia
C00000184KNApSAcK
Registry NumbersSources
CAS:2867-05-2NIST Chemistry WebBook
CAS:2867-05-2ChemIDplus