Structure Database (LMSD)

Common Name
vetispiradiene
Systematic Name
(2S,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
Synonyms
  • vetispiradiene
LM ID
LMPR0103650003
Status
Active
Exact Mass
Calculate m/z
204.1878
Formula


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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)
WEZDOYDDKIHCLM-QLFBSQMISA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14+,15-/m1/s1
SMILES (Click to copy)
C1CC[C@@H](C)[C@]2(C[C@@H](C(=C)C)CC2)C=1C

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 238.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.73
Molar Refractivity 66.74

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Created at
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Updated at
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