Structure Database (LMSD)
Common Name
alpha-Terpinyl acetate
Systematic Name
Synonyms
3D model of alpha-Terpinyl acetate
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)
IGODOXYLBBXFDW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
SMILES (Click to copy)
C1C(=CCC(C1)C(OC(C)=O)(C)C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
216.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.36
Molar Refractivity
57.46
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Created at
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Updated at
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