Structure Database (LMSD)

Common Name
3,7,11-Trimethylheptacosane
Systematic Name
3,7,11-Trimethylheptacosane
Synonyms
LM ID
LMFA11000373
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)
QVGGKRPICGQKFP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H62/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-29(4)26-22-27-30(5)25-21-24-28(3)7-2/h28-30H,6-27H2,1-5H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936172

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 527.56
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.52
Molar Refractivity 140.41

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Updated at
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