Structure Database (LMSD)

Common Name
4,8,12-Trimethyloctacosane
Systematic Name
4,8,12-Trimethyloctacosane
Synonyms
LM ID
LMFA11000420
Formula
C31H64
Exact Mass
Calculate m/z
436.500801
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
MQARWVHIFSASCF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H64/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30(4)26-22-28-31(5)27-21-25-29(3)23-7-2/h29-31H,6-28H2,1-5H3
SMILES (Click to copy)
CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936180

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 25
Van der Waals Molecular Volume 544.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.91
Molar Refractivity 145.03

Admin

Created at
-
Updated at
-