Structure Database (LMSD)
Common Name
14S-Methyl-8E-hexadecenal
Systematic Name
14S-Methyl-8E-hexadecenal
Synonyms
3D model of 14S-Methyl-8E-hexadecenal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Trogoderma granarium
(#591392)
Insecta
(#50557)
Relationship between chirality and biological activity,
Naturwissenschaften, 1978
Naturwissenschaften, 1978
DOI:
10.1007/BF00368572
String Representations
InChiKey (Click to copy)
HSGUJTMCFWXGAP-UABRLCRWSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3/b7-5+/t17-/m0/s1
SMILES (Click to copy)
C(CCCCCC/C=C/CCCC[C@@H](C)CC)(=O)[H]
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
13
Van der Waals Molecular Volume
306.17
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.69
Molar Refractivity
80.83
Admin
Created at
-
Updated at
14th Jan 2025