Structure Database (LMSD)
Common Name
Rhodinyl phenylacetate
Systematic Name
3,7-dimethyloct-7-en-1-yl 2-phenylacetate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Rhodinyl phenylacetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
SKZDJVXLRPCFQC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,10-11,16H,1,7-9,12-14H2,2-3H3
SMILES (Click to copy)
CC(CCCC(C)CCOC(=O)CC1C=CC=CC=1)=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
301.08
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.83
Molar Refractivity
84.04
Admin
Created at
-
Updated at
6th Jun 2022