Structure Database (LMSD)

Common Name
Tridecan-2-ol
Systematic Name
Tridecan-2-ol
Synonyms
LM ID
LMFA05000523
Formula
C13H28O
Exact Mass
Calculate m/z
200.214015
Sum Composition
FOH 13:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Andrena haemorrhoa (#444401)
Insecta (#50557)
Comparative analyses of complex secretions from heads of Andrena Bees (Hym., Apoidea),
Comp Biochem Physiol B: Comp Biochem, 1977

String Representations

InChiKey (Click to copy)
HKOLRKVMHVYNGG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
SMILES (Click to copy)
CC(O)CCCCCCCCCCC

Other Databases

CHEBI ID
195621
PubChem CID
15449

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 242.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.57
Molar Refractivity 64.04

Admin

Created at
-
Updated at
20th Dec 2024