Structure Database (LMSD)
Common Name
Civetone
Systematic Name
(9Z)-cycloheptadec-9-en-1-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Civetone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ZKVZSBSZTMPBQR-UPHRSURJSA-N
InChi (Click to copy)
InChI=1S/C17H30O/c18-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-17/h1-2H,3-16H2/b2-1-
SMILES (Click to copy)
C\1=C\CCCCCCCC(=O)CCCCCCC1
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
293.81
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.59
Molar Refractivity
78.79
Admin
Created at
19th Apr 2023
Updated at
19th Apr 2023