Structure Database (LMSD)
Common Name
2,5-dimethyl-2-heptadecenoic acid
Systematic Name
2,5-dimethyl-2-heptadecenoic acid
Synonyms
3D model of 2,5-dimethyl-2-heptadecenoic 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)
LSSLOHSHEPXVOI-FBMGVBCBSA-N
InChi (Click to copy)
InChI=1S/C19H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2)15-16-18(3)19(20)21/h16-17H,4-15H2,1-3H3,(H,20,21)/b18-16+
SMILES (Click to copy)
C(CCCCCCC)CCCCC(C)C/C=C(\C)/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
349.56
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.35
Molar Refractivity
91.63
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Created at
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Updated at
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