Structure Database (LMSD)

Common Name
3-Methylheptacosane
Systematic Name
3-Methylheptacosane
Synonyms
LM ID
LMFA11000396
Formula
C28H58
Exact Mass
Calculate m/z
394.45385
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)
NTRHFQVDDLHZMZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C28H58/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(3)5-2/h28H,4-27H2,1-3H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCCCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0038308
PubChem CID
85690

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 492.96
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.02
Molar Refractivity 131.32

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Updated at
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