Structure Database (LMSD)

Common Name
14-methyl-1-hexadecanol
Systematic Name
14-methyl-1-hexadecanol
Synonyms
  • 14-methyl-hexadecan-1-ol
LM ID
LMFA05000009
Formula
C17H36O
Exact Mass
Calculate m/z
256.276615
Sum Composition
FOH 17:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
WQBUQCSTGAHNSM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h17-18H,3-16H2,1-2H3
SMILES (Click to copy)
C(CCCC(C)CC)CCCCCCCCCO

Other Databases

CHEBI ID
84920
PubChem CID
5283264

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 311.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.99
Molar Refractivity 82.43

Admin

Created at
-
Updated at
-