Structure Database (LMSD)

Common Name
Sabinene hydrate
Systematic Name
Synonyms
LM ID
LMPR0102120006
Formula
Exact Mass
Calculate m/z
154.135765
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
KXSDPILWMGFJMM-OPRDCNLKSA-N
InChi (Click to copy)
InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3/t8-,9-,10-/m1/s1
SMILES (Click to copy)
[C@]12(C[C@@H]1[C@@](CC2)(O)C)C(C)C

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 165.63
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.48
Molar Refractivity 45.75

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Created at
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Updated at
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