Structure Database (LMSD)
Common Name
(+)-alpha-thujene
Systematic Name
(1S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene (1S,5R)-thuj-2-ene
Synonyms
- (1S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hex-2-ene
3D model of (+)-alpha-thujene
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
KQAZVFVOEIRWHN-UWVGGRQHSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3/t9-,10-/m0/s1
SMILES (Click to copy)
C1C=C([C@]2([H])C[C@]12C(C)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
2
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
154.20
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
3.00
Molar Refractivity
43.75
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Created at
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Updated at
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