Structure Database (LMSD)
Common Name
neostearic acid
Systematic Name
15,15-dimethyl-hexadecanoic acid
Synonyms
3D model of neostearic 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)
DYIMLZQLABJBJH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O2/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17(19)20/h4-16H2,1-3H3,(H,19,20)
SMILES (Click to copy)
C(CCCCCCCCCCC(C)(C)C)CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
334.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
6.19
Molar Refractivity
87.11
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Created at
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Updated at
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