Structure Database (LMSD)

Common Name
(+)-sabinone
Systematic Name
(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
Synonyms
  • (+)-Sabinone
  • (+)-sabinone
LM ID
LMPR0102120049
Status
Active
Exact Mass
Calculate m/z
150.104465
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)
PBLWMCQDAGOTPV-SCZZXKLOSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3/t8-,10+/m1/s1
SMILES (Click to copy)
[C@]12(C(C)C)[C@H](C1)C(=C)C(=O)C2

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 160.35
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 2.18
Molar Refractivity 44.14

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Updated at
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