Structure Database (LMSD)
Common Name
Myrtenol
Systematic Name
Synonyms
3D model of Myrtenol
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)
RXBQNMWIQKOSCS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3
SMILES (Click to copy)
C12C(CO)=CCC(C1)C2(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
3
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
159.19
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.26
Molar Refractivity
45.65
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Created at
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Updated at
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