Structure Database (LMSD)
Common Name
gamma-Terpinyl acetate
Systematic Name
Synonyms
3D model of gamma-Terpinyl acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
ZKKBZSOYCMSYRW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h5-8H2,1-4H3
SMILES (Click to copy)
C1C(CC/C(=C(\C)/C)/C1)(OC(=O)C)C
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
1
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
216.10
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.50
Molar Refractivity
57.53
Admin
Created at
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Updated at
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