Structure Database (LMSD)

Common Name
4,5-Dimethylheptacosane
Systematic Name
4,5-Dimethylheptacosane
Synonyms
LM ID
LMFA11000415
Formula
C29H60
Exact Mass
Calculate m/z
408.4695
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)
BLKMUFZZRQILHN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29(4)28(3)26-6-2/h28-29H,5-27H2,1-4H3
SMILES (Click to copy)
CCCC(C)C(C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936176

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 510.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.27
Molar Refractivity 135.87

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Updated at
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