Structure Database (LMSD)

Common Name
1-Tetradecen-3-one
Systematic Name
1-Tetradecen-3-one
Synonyms
LM ID
LMFA12000176
Formula
C14H26O
Exact Mass
Calculate m/z
210.198365
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)
MNIGRDBXCHCIHR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h4H,2-3,5-13H2,1H3
SMILES (Click to copy)
C=CC(=O)CCCCCCCCCCC

Other Databases

CHEBI ID
179502
PubChem CID
10013364

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 254.27
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.66
Molar Refractivity 67.05

Admin

Created at
-
Updated at
-