Structure Database (LMSD)

Common Name
dodecane
Systematic Name
dodecane
Synonyms
  • n-Dodecane
LM ID
LMFA11000004
Formula
C12H26
Exact Mass
Calculate m/z
170.20345
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

String Representations

InChiKey (Click to copy)
SNRUBQQJIBEYMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
SMILES (Click to copy)
C(CCCCC)CCCCCC

Other Databases

Wikipedia
dodecane
KEGG ID
C08374
HMDB ID
HMDB0031444
CHEBI ID
28817
PubChem CID
8182
PDB ID
D12

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 216.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.93
Molar Refractivity 57.52

Admin

Created at
-
Updated at
-