Structure Database (LMSD)

Common Name
2-Triacontanone
Systematic Name
triacontane-2-one
Synonyms
LM ID
LMFA12000394
Formula
C30H60O
Exact Mass
Calculate m/z
436.464416
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Primula veris (#170927)
Magnoliopsida (#3398)
Very-Long-Chain Wax Constituents from Primula veris and P. acaulis: Does the Paradigm of Non-Branched vs. Branched Chain Dominance Universally Hold in all Plant Taxa?,
Chem Biodivers, 2021
Pubmed ID: 34028186

String Representations

InChiKey (Click to copy)
ISKFXOKNNWWGBM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H60O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30(2)31/h3-29H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)C

Other Databases

CHEBI ID
191279
PubChem CID
14681534

Calculated Physicochemical Properties

Heavy Atoms 31
Rings
Aromatic Rings
Rotatable Bonds 27
Van der Waals Molecular Volume 533.71
Topological Polar Surface Area 17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors 1
logP 11.13
Molar Refractivity 141.01

Admin

Created at
1st Jul 2021
Updated at
1st Jul 2021