Structure Database (LMSD)

Common Name
3-Methylnonacosane
Systematic Name
3-Methylnonacosane
Synonyms
LM ID
LMFA11000399
Formula
C30H62
Exact Mass
Calculate m/z
422.48515
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)
DCKPETUZJQNEBD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(3)5-2/h30H,4-29H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
85691

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 527.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.80
Molar Refractivity 140.55

Admin

Created at
-
Updated at
-