Structure Database (LMSD)
Common Name
Alliacol A
Systematic Name
Synonyms
3D model of Alliacol A
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)
VLJBPLOIFLPLAP-UNNNSSBPSA-N
InChi (Click to copy)
InChI=1S/C15H20O4/c1-8-5-6-13(17)9(2)10(16)18-14(13)7-12(3,4)11-15(8,14)19-11/h8,11,17H,2,5-7H2,1,3-4H3/t8-,11?,13-,14?,15?/m1/s1
SMILES (Click to copy)
[C@H]1(C)C23OC2C(C)(C)CC23OC(=O)C(=C)[C@]2(O)CC1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
248.50
Topological Polar Surface Area
61.13
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
2.71
Molar Refractivity
69.36
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Created at
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Updated at
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