Structure Database (LMSD)
Common Name
Germacrane skeleton
Systematic Name
Synonyms
LM ID
LMPR0103090000
Status
Active
3D model of Germacrane skeleton
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)
IBMAYSYTZAVZPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h12-15H,5-11H2,1-4H3
SMILES (Click to copy)
C1CC(C)CCC(C(C)C)CCC(C)C1
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
255.70
Topological Polar Surface Area
0.00
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
logP
5.28
Molar Refractivity
68.98
Admin
Created at
-
Updated at
28th Mar 2024