Structure Database (LMSD)
Common Name
2-Africananol
Systematic Name
Synonyms
3D model of 2-Africananol
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
String Representations
InChiKey (Click to copy)
KVFZUTBKAXAVDX-OGMFBOKVSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-10-5-6-12-14(4)8-11(14)7-13(2,3)9-15(10,12)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
SMILES (Click to copy)
[C@]12(O)CC(C)(C)C[C@H]3C[C@@]3(C)[C@@]1([H])CC[C@H]2C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
3
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
239.77
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
3.90
Molar Refractivity
66.58
Admin
Created at
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Updated at
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