Structure Database (LMSD)

Common Name
hentriacontan-16-ol
Systematic Name
hentriacontan-16-ol
Synonyms
  • 16-hentriacontanol
LM ID
LMFA05000091
Formula
C31H64O
Exact Mass
Calculate m/z
452.495715
Sum Composition
FOH 31:0
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)
CLDFUWPQRCVRHQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H64O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
SMILES (Click to copy)
C(O)(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC

Other Databases

CHEBI ID
35985
PubChem CID
9548843

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 28
Van der Waals Molecular Volume 553.65
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 11.60
Molar Refractivity 147.14

Admin

Created at
-
Updated at
-