Structure Database (LMSD)
Common Name
5,10-Epoxy-muurolane
Systematic Name
Synonyms
3D model of 5,10-Epoxy-muurolane
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
References
String Representations
InChiKey (Click to copy)
OAXPUWUDEOULDN-BHPKHCPMSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-15)13(11)12/h9,11-13H,5-8H2,1-4H3/t11-,12-,13-,15+/m1/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@@]3([H])[C@@H](C(C)C)CC[C@@]2(OC3=C1C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
3
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
237.13
Topological Polar Surface Area
11.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
4.43
Molar Refractivity
66.48
Admin
Created at
-
Updated at
23rd Jul 2021