Structure Database (LMSD)
Common Name
(+)-Verticillol
Systematic Name
Synonyms
3D model of (+)-Verticillol
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)
CQWSCMMFUZYKBO-CXFBFUJHSA-N
InChi (Click to copy)
InChI=1S/C20H34O/c1-15-7-6-8-16(2)10-12-18-19(3,4)17(11-9-15)13-14-20(18,5)21/h8-9,17-18,21H,6-7,10-14H2,1-5H3/b15-9+,16-8+/t17-,18+,20+/m0/s1
SMILES (Click to copy)
C1C[C@](O)(C)[C@@H]2CCC(C)=CCCC(C)=CC[C@@H]1C2(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
333.35
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.93
Molar Refractivity
91.73
Admin
Created at
-
Updated at
13th Jan 2022