Secondary metabolite: 3,11,15-Trihydroxydrimene Summary Molecular formula: C15H26O3
SMILES: OC[C@H]1C(=CC[C@@H]2[C@]1(C)CC[C@H]([C@]2(C)CO)O)C InChI: InChI=1S/C15H26O3/c1-10-4-5-12-14(2,11(10)8-16)7-6-13(18)15(12,3)9-17/h4,11-13,16-18H,5-9H2,1-3H3/t11-,12+,13+,14+,15+/m0/s1 InChIKey: UYMHEXBKIPYBOX-NJVJYBDUSA-N
Chemical classification Kingdom: Organic compounds
Super class: Organic oxygen compounds Class: Organooxygen compounds
Sub class: Alcohols and polyols
Synonymous chemical names: 3,11,15-trihydroxydrimene, 3a,11,15-trihydroxydrimene
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 254.37 Log P RDKit 1.72 Topological polar surface area (Å2 ) RDKit 60.69 Number of hydrogen bond acceptors RDKit 3 Number of hydrogen bond donors RDKit 3 Number of carbon atoms RDKit 15 Number of heavy atoms RDKit 18 Number of heteroatoms RDKit 3 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 5 Stereochemical complexity RDKit 0.33 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 2 Number of sp3 hybridized carbon atoms RDKit 13 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.87 Shape complexity RDKit 0.87 Number of rotatable bonds SwissADME 2 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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