Structure Database (LMSD)

Common Name
1,8-Cineol
Systematic Name
Synonyms
LM ID
LMPR0102090019
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)
WEEGYLXZBRQIMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
SMILES (Click to copy)
C12(C)CCC(CC1)C(C)(C)O2

References

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 161.83
Topological Polar Surface Area 11.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 3.32
Molar Refractivity 46.55

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Created at
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Updated at
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