Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:50033 - (−)-α-thujene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
(−)-α-thujene
ChEBI ID
CHEBI:50033
ChEBI ASCII Name
(-)-alpha-thujene
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C10H16
Net Charge
0
Average Mass
136.23404
Monoisotopic Mass
136.12520
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m1/s1
InChIKey
KQAZVFVOEIRWHN-NXEZZACHSA-N
SMILES
[H][C@]12C[C@]1(CC=C2C)C(C)C
ChEBI Ontology
Outgoing
(−)-α-thujene (
CHEBI:50033
)
is a
α-thujene (
CHEBI:50031
)
(−)-α-thujene (
CHEBI:50033
)
is enantiomer of
(+)-α-thujene (
CHEBI:50032
)
Incoming
(+)-α-thujene (
CHEBI:50032
)
is enantiomer of
(−)-α-thujene (
CHEBI:50033
)
IUPAC Name
(1
R
,5
S
)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene
Synonym
Source
(1
R
,5
S
)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene
IUPAC
Registry Number
Type
Source
3917-48-4
CAS Registry Number
ChemIDplus
Last Modified
18 September 2009