Structure Database (LMSD)

Common Name
2,5-dimethylnonadecane
Systematic Name
2,5-dimethylnonadecane
Synonyms
LM ID
LMFA11000720
Formula
C21H44
Exact Mass
Calculate m/z
296.3443
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Garcinia (#58227)
Magnoliopsida (#3398)
Secondary metabolites from Garcinia daedalanthera Pierre leaves (Clusiaceae).,
Nat Prod Res, 2020
Pubmed ID: 32530310

String Representations

InChiKey (Click to copy)
DTGPVQYAPHWPDL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H44/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(4)19-18-20(2)3/h20-21H,5-19H2,1-4H3
SMILES (Click to copy)
C(C)CCCCCCCCCCCCC(C)CCC(C)C

Other Databases

PubChem CID
71370086

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 371.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.15
Molar Refractivity 98.93

Admin

Created at
30th Jun 2020
Updated at
30th Jun 2020