Structure Database (LMSD)

Common Name
dodecanol
Systematic Name
dodecanol
Synonyms
LM ID
LMFA05000001
Formula
Exact Mass
Calculate m/z
186.198365
Sum Composition
Status
Active


Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
LQZZUXJYWNFBMV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
SMILES (Click to copy)
C(CCCCCCCCCCC)O

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 224.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.18
Molar Refractivity 59.42

Admin

Created at
-
Updated at
-