Structure Database (LMSD)
Common Name
3S,7S-Dimethylpentadecan-2S-ol
Systematic Name
3S,7S-Dimethylpentadecan-2S-ol
Synonyms
- (2S,3S,7S)-3,7-Dimethylpentadecan-2-ol
3D model of 3S,7S-Dimethylpentadecan-2S-ol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Comments
Pherobase Semiochemicals
Taxonomy Information
String Representations
InChiKey (Click to copy)
VCMNTYQFWXTWTL-ULQDDVLXSA-N
InChi (Click to copy)
InChI=1S/C17H36O/c1-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(4)18/h15-18H,5-14H2,1-4H3/t15-,16-,17-/m0/s1
SMILES (Click to copy)
C[C@H](O)[C@@H](C)CCC[C@@H](C)CCCCCCCC
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
311.45
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.85
Molar Refractivity
82.36
Admin
Created at
-
Updated at
29th Dec 2024