Structure Database (LMSD)

Common Name
15-Methylhentetracontane
Systematic Name
15-Methylhentetracontane
Synonyms
LM ID
LMFA11000290
Formula
C42H86
Exact Mass
Calculate m/z
590.67295
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)
ZSPSASVLIIVKBU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C42H86/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-42(3)40-38-36-34-32-30-17-15-13-11-9-7-5-2/h42H,4-41H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936162

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 0
Aromatic Rings 0
Rotatable Bonds 38
Van der Waals Molecular Volume 735.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 16.49
Molar Refractivity 195.96

Admin

Created at
-
Updated at
-