Structure Database (LMSD)

OH
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
Formula
C10H18O
Exact Mass
Calculate m/z
154.135765
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

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
Linalool
KEGG ID
C11388
CHEBI ID
28
PubChem CID
443158

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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Updated at
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