Structure Database (LMSD)
Common Name
3-tridecylphenol
Systematic Name
3-tridecylphenol
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3-tridecylphenol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IFGRPNIAGKTMCH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(20)17-18/h13,15-17,20H,2-12,14H2,1H3
SMILES (Click to copy)
C1C=C(CCCCCCCCCCCCC)C=C(O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
12
Van der Waals Molecular Volume
314.87
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
6.25
Molar Refractivity
88.27
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Created at
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Updated at
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