Structure Database (LMSD)

Common Name
3-Methylheneicosane
Systematic Name
3-Methylheneicosane
Synonyms
LM ID
LMFA11000394
Formula
C22H46
Exact Mass
Calculate m/z
310.35995
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)
OSJUENOXPFOHLF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
522120

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 389.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.68
Molar Refractivity 103.62

Admin

Created at
-
Updated at
-