Secondary metabolite: Rulepidadiene B Summary Molecular formula: C15H22
SMILES: CC(=C)[C@H]1C=CC=C2[C@@]1(C)[C@@H](C)CCC2 InChI: InChI=1S/C15H22/c1-11(2)14-10-6-9-13-8-5-7-12(3)15(13,14)4/h6,9-10,12,14H,1,5,7-8H2,2-4H3/t12-,14+,15+/m0/s1 InChIKey: NDOOUZVSWOMXFH-NWANDNLSSA-N
Chemical classification Kingdom: Organic compounds
Super class: Hydrocarbons Class: Unsaturated hydrocarbons
Sub class: Branched unsaturated hydrocarbons
Synonymous chemical names: rulepidadiene b
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 202.34 Log P RDKit 4.5 Topological polar surface area (Å2 ) RDKit 0 Number of hydrogen bond acceptors RDKit 0 Number of hydrogen bond donors RDKit 0 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 15 Number of heteroatoms RDKit 0 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.2 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 6 Number of sp3 hybridized carbon atoms RDKit 9 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.6 Shape complexity RDKit 0.6 Number of rotatable bonds SwissADME 1 Number of aliphatic carbocycles RDKit 2 Number of aliphatic heterocycles RDKit 0 Number of aliphatic rings RDKit 2 Number of aromatic carbocycles RDKit 0 Number of aromatic heterocycles RDKit 0 Number of aromatic rings RDKit 0 Total number of rings RDKit 2 Number of saturated carbocycles RDKit 1 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 2
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