Secondary metabolite: 11-Hydroxy-γ-dodecalactone Summary Molecular formula: C12H22O3
SMILES: CC(CCCCCC[C@H]1CCC(=O)O1)O InChI: InChI=1S/C12H22O3/c1-10(13)6-4-2-3-5-7-11-8-9-12(14)15-11/h10-11,13H,2-9H2,1H3/t10?,11-/m0/s1 InChIKey: UWGTUGZQSDFAIK-DTIOYNMSSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Fatty Acyls
Sub class: Fatty alcohols
Synonymous chemical names: 11-hydroxy-γ-dodecalactone
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 214.31 Log P RDKit 2.41 Topological polar surface area (Å2 ) RDKit 46.53 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 1 Number of carbon atoms RDKit 12 Number of heavy atoms RDKit 15 Number of heteroatoms RDKit 3 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 2 Stereochemical complexity RDKit 0.17 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 1 Number of sp3 hybridized carbon atoms RDKit 11 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.92 Shape complexity RDKit 0.92 Number of rotatable bonds SwissADME 7 Number of aliphatic carbocycles RDKit 0 Number of aliphatic heterocycles RDKit 1 Number of aliphatic rings RDKit 1 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 1 Number of saturated carbocycles RDKit 0 Number of saturated heterocycles RDKit 1 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
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