Structure Database (LMSD)
Common Name
2-chlorohexadecanol
Systematic Name
2-chlorohexadecanol
Synonyms
- 2-ClHOH
LM ID
LMFA05000460
Formula
C16H33ClO
Exact Mass
Calculate m/z
276.221993
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-chlorohexadecanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Chlorinated lipid species in activated human neutrophils: lipid metabolites of 2-chlorohexadecanal.,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20019386
DOI:
10.1194/jlr.M003673
String Representations
InChiKey (Click to copy)
BIKPLELGZLSTBN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h16,18H,2-15H2,1H3
SMILES (Click to copy)
C(C(Cl)CCCCCCCCCCCCCC)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
309.36
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
6.25
Molar Refractivity
83.42
Admin
Created at
-
Updated at
-