Structure Database (LMSD)

O
Common Name
10-Undecen-2-one
Systematic Name
10-Undecen-2-one
Synonyms
LM ID
LMFA12000157
Formula
Exact Mass
Calculate m/z
168.151415
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
FJHNSGVMPSITEQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3
SMILES (Click to copy)
CC(=O)CCCCCCCC=C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 202.37
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.49
Molar Refractivity 53.20

Admin

Created at
-
Updated at
-