Structure Database (LMSD)

Common Name
3,7-Dimethylhentriacontane
Systematic Name
3,7-Dimethylhentriacontane
Synonyms
LM ID
LMFA11000383
Formula
C33H68
Exact Mass
Calculate m/z
464.5321
Status
Active
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)
BHQONPCFMSTAIS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H68/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-33(4)31-28-30-32(3)6-2/h32-33H,5-31H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430420

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 579.46
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.83
Molar Refractivity 154.33

Admin

Created at
-
Updated at
-