Structure Database (LMSD)

Common Name
3S,13R-Dimethylheptadecane
Systematic Name
3S,13R-Dimethylheptadecane
Synonyms
LM ID
LMFA11000022
Status
Active
Exact Mass
Calculate m/z
268.313
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
SHJISVVEHWFONS-RBUKOAKNSA-N
InChi (Click to copy)
InChI=1S/C19H40/c1-5-7-15-19(4)17-14-12-10-8-9-11-13-16-18(3)6-2/h18-19H,5-17H2,1-4H3/t18-,19+/m0/s1
SMILES (Click to copy)
CC[C@H](C)CCCCCCCCC[C@H](C)CCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 337.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.37
Molar Refractivity 89.70

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Created at
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Updated at
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