Secondary metabolite: 5-(Hydroxymethyl)-2-(prop-1-en-2-yl)cyclohexanol Summary Molecular formula: C10H18O2
SMILES: OCC1CCC(C(C1)O)C(=C)C InChI: InChI=1S/C10H18O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h8-12H,1,3-6H2,2H3 InChIKey: WFCWMXSGKWYJHY-UHFFFAOYSA-N
Chemical classification Kingdom: Organic compounds
Super class: Lipids and lipid-like molecules Class: Prenol lipids
Sub class: Monoterpenoids
Synonymous chemical names: 5-(hydroxymethyl)-2-(prop-1-en-2-yl)cyclohexanol
Chemical structure download Physicochemical properties Property name Tool Property value Molecular weight (g/mol) RDKit 170.25 Log P RDKit 1.33 Topological polar surface area (Å2 ) RDKit 40.46 Number of hydrogen bond acceptors RDKit 2 Number of hydrogen bond donors RDKit 2 Number of carbon atoms RDKit 10 Number of heavy atoms RDKit 12 Number of heteroatoms RDKit 2 Number of nitrogen atoms RDKit 0 Number of sulfur atoms RDKit 0 Number of chiral carbon atoms RDKit 3 Stereochemical complexity RDKit 0.3 Number of sp hybridized carbon atoms RDKit 0 Number of sp2 hybridized carbon atoms RDKit 2 Number of sp3 hybridized carbon atoms RDKit 8 Fraction of sp3 hybridized carbon atoms (Fsp3 ) RDKit 0.8 Shape complexity RDKit 0.8 Number of rotatable bonds SwissADME 2 Number of aliphatic carbocycles RDKit 1 Number of aliphatic heterocycles RDKit 0 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 1 Number of saturated heterocycles RDKit 0 Number of saturated rings RDKit 1 Number of Smallest Set of Smallest Rings (SSSR) RDKit 1
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