Structure Database (LMSD)

Common Name
13-Methylnonacosane
Systematic Name
13-Methylnonacosane
Synonyms
LM ID
LMFA11000264
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)
LKHFDNVPHQRIMQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62/c1-4-6-8-10-12-14-16-17-18-19-21-23-25-27-29-30(3)28-26-24-22-20-15-13-11-9-7-5-2/h30H,4-29H2,1-3H3
SMILES (Click to copy)
CCCCCCCCCCCCC(C)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
522504

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
-