Structure Database (LMSD)

Common Name
(-)-Linalool
Systematic Name
3R,7-dimethylocta-1,6-dien-3-ol
Synonyms
  • (R)-3,7-dimethylocta-1,6-dien-3-ol
LM ID
LMPR0102010013
Status
Active
Exact Mass
Calculate m/z
154.135765
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)
CDOSHBSSFJOMGT-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3/t10-/m0/s1
SMILES (Click to copy)
C[C@@](O)(CC/C=C(\C)/C)C=C

References

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 185.07
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.96
Molar Refractivity 50.00

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Created at
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Updated at
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