Structure Database (LMSD)

Common Name
Myrcene
Systematic Name
Synonyms
LM ID
LMPR0102010005
Status
Active
Exact Mass
Calculate m/z
136.1252
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

String Representations

InChiKey (Click to copy)
UAHWPYUMFXYFJY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
SMILES (Click to copy)
C(=C)(C=C)CC/C=C(/C)\C

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 173.64
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 3.48
Molar Refractivity 48.00

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Created at
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Updated at
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