Structure Database (LMSD)
Common Name
Geranyl acetate
Systematic Name
3,7-Dimethyl-2E,6-octadienyl acetate
Synonyms
3D model of Geranyl 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
String Representations
InChiKey (Click to copy)
HIGQPQRQIQDZMP-DHZHZOJOSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
SMILES (Click to copy)
O(C(=O)C)C/C=C(\C)/CC/C=C(\C)/C
References
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
225.82
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.53
Molar Refractivity
59.55
Admin
Created at
-
Updated at
19th Jun 2024