Structure Database (LMSD)

Common Name
12-Methyltridecanal
Systematic Name
12-methyltridecanal
Synonyms
LM ID
LMFA06000257
Formula
C14H28O
Exact Mass
Calculate m/z
212.214015
Sum Composition
FAL 14:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
OQWNKUAZQSLNSR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h13-14H,3-12H2,1-2H3
SMILES (Click to copy)
O=CCCCCCCCCCCC(C)C

Other Databases

HMDB ID
HMDB0032432
PubChem CID
3018619

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 256.91
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.74
Molar Refractivity 67.07

Admin

Created at
-
Updated at
-