Structure Database (LMSD)
Common Name
4Z,7Z,10Z-octadecatrienenitrile
Systematic Name
4Z,7Z,10Z-octadecatrienenitrile
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 4Z,7Z,10Z-octadecatrienenitrile
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
IZQMXCVZGSWCLH-ORZIMQNZSA-N
InChi (Click to copy)
InChI=1S/C18H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h8-9,11-12,14-15H,2-7,10,13,16-17H2,1H3/b9-8-,12-11-,15-14-
SMILES (Click to copy)
CCCCCCC/C=C\C/C=C\C/C=C\CCC#N
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
317.76
Topological Polar Surface Area
23.79
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
6.10
Molar Refractivity
84.88
Admin
Created at
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Updated at
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