Structure Database (LMSD)

Common Name
pentadecane
Systematic Name
pentadecane
Synonyms
  • n-pentadecane
LM ID
LMFA11000006
Formula
C15H32
Exact Mass
Calculate m/z
212.2504
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

String Representations

InChiKey (Click to copy)
YCOZIPAWZNQLMR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
SMILES (Click to copy)
C(CCCCCCC)CCCCCCC

Other Databases

Wikipedia
pentadecane
KEGG ID
C08388
HMDB ID
HMDB0059886
CHEBI ID
28897
PubChem CID
12391
PDB ID
MYS

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 268.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.10
Molar Refractivity 71.37

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Created at
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Updated at
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