Structure Database (LMSD)
Common Name
9-methoxy-pentadecanoic acid
Systematic Name
9-methoxy-pentadecanoic acid
Synonyms
3D model of 9-methoxy-pentadecanoic acid
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
String Representations
InChiKey (Click to copy)
QWMAMXJYEIAKRF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O3/c1-3-4-5-9-12-15(19-2)13-10-7-6-8-11-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
SMILES (Click to copy)
C(CCCCCCCC(OC)CCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
309.09
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.07
Molar Refractivity
80.02
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Created at
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Updated at
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