Structure Database (LMSD)

Common Name
12-Methylhexacosane
Systematic Name
12-Methylhexacosane
Synonyms
LM ID
LMFA11000229
Formula
C27H56
Exact Mass
Calculate m/z
380.4382
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

String Representations

InChiKey (Click to copy)
HOZWOBPGLWUNCK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H56/c1-4-6-8-10-12-14-15-16-18-20-22-24-26-27(3)25-23-21-19-17-13-11-9-7-5-2/h27H,4-26H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCC(C)CCCCCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
528502

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 23
Van der Waals Molecular Volume 475.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.63
Molar Refractivity 126.70

Admin

Created at
-
Updated at
-