Structure Database (LMSD)

Common Name
4-hydroxy-pentadecanoic acid
Systematic Name
4-hydroxy-pentadecanoic acid
Synonyms
LM ID
LMFA01050185
Formula
Exact Mass
Calculate m/z
258.219495
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
ZXRHHICCGISHQG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
SMILES (Click to copy)
C(CCC(O)CCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4937
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 291.79
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.42
Molar Refractivity 75.23

Admin

Created at
-
Updated at
-