Structure Database (LMSD)

Common Name
2S-Hydroxy-2-isopropylbutano-3S-lactone
Systematic Name
2S-Hydroxy-2-isopropylbutano-3S-lactone
Synonyms
  • (2S,3S)-2-Hydroxy-2-isopropylbutano-3-lactone
LM ID
LMFA07040002
Status
Active
Exact Mass
Calculate m/z
144.078645
Formula
Abbrev


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)
KHKLGIPKSSNKPU-FSPLSTOPSA-N
InChi (Click to copy)
InChI=1S/C7H12O3/c1-4(2)7(9)5(3)10-6(7)8/h4-5,9H,1-3H3/t5-,7-/m0/s1
SMILES (Click to copy)
O1C(=O)[C@](O)(C(C)C)[C@@H]1C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 141.03
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 0.89
Molar Refractivity 36.37

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Updated at
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