Structure Database (LMSD)

Common Name
14S-Methyloctadecan-2-one
Systematic Name
14S-Methyloctadecan-2-one
Synonyms
LM ID
LMFA12000197
Formula
C19H38O
Exact Mass
Calculate m/z
282.292265
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
FUVQABBYCOUMQQ-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C19H38O/c1-4-5-15-18(2)16-13-11-9-7-6-8-10-12-14-17-19(3)20/h18H,4-17H2,1-3H3/t18-/m0/s1
SMILES (Click to copy)
CC(=O)CCCCCCCCCCC[C@@H](C)CCCC

Other Databases

CHEBI ID
179294
PubChem CID
42597636

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 343.41
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.69
Molar Refractivity 90.16

Admin

Created at
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Updated at
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