Structure & Deep Data of Bucharidine (C19H25NO4)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Bucharidine molecule contains a total of 51 bond(s). There are 26 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), 2 hydroxyl group(s), 1 secondary alcohol(s), and 1 ether(s) (aliphatic). Images of the chemical structure of Bucharidine are given below:

The 2D chemical structure image of Bucharidine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Bucharidine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of Bucharidine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Bucharidine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Bucharidine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Bucharidine

  The SMILES string of Bucharidine is CC(c2c(O)c1ccccc1[nH]c2=O)C3(C)CCC(O)C(C)(C)O3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Bucharidine.

• Structure Data File (SDF/MOL File) of Bucharidine

  The structure data file (SDF/MOL File) of Bucharidine is available for download in the SDF page of Bucharidine, which provides the information about the atoms, bonds, connectivity and coordinates of Bucharidine. The Bucharidine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Bucharidine

  The molecular formula of Bucharidine is available in chemical formula page of Bucharidine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Bucharidine

  The molecular weight of Bucharidine is available in molecular weight page of Bucharidine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of Bucharidine

  The Bucharidine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Bucharidine including the various registry numbers, if available:

  • 4-hydroxy-3-[(5-hydroxy-2,6,6-trimethyl(2H-3,4,5,6-tetrahydropyran-2-yl))ethyl ]hydroquinolin-2-one
  • 2(1H)-QUINOLINONE,4-HYDROXY-3-[1-(TETRAHYDRO-5-HYDROXY-2,6,6-TRIMETHYL-2H-PYRAN-2-YL)ETHYL]-(9CI)
  • 4-Hydroxy-3-[1-(5-hydroxy-2,6,6-trimethyloxan-2-yl)ethyl]quinolin-2(1H)-one
  • 4-hydroxy-3-[1-(5-hydroxy-2,6,6-trimethyl-tetrahydropyran-2-yl)ethyl]-1H-quinolin-2-one
  • 2-hydroxy-3-[1-(5-hydroxy-2,6,6-trimethyloxan-2-yl)ethyl]-1H-quinolin-4-one
  • HMS2267E07
  • 25865-94-5
  • AmbTos804578
  • Bucharidine

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Bucharidine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Bucharidine?
C19H25NO4
How many atoms and what are the elements included the Bucharidine molecule?
49 atom(s) - 25 Hydrogen atom(s), 19 Carbon atom(s), 1 Nitrogen atom(s), and 4 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Bucharidine structure?
51 bond(s) - 26 non-H bond(s), 8 multiple bond(s), 2 rotatable bond(s), 2 double bond(s), 6 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), 2 hydroxyl group(s), 1 secondary alcohol(s), and 1 ether(s) (aliphatic)
What’s the Bucharidine’s molecular weight?
331.4061 g/mol
What’s the SMILES code of Bucharidine?
CC(c2c(O)c1ccccc1[nH]c2=O)C3(C)CCC(O)C(C)(C)O3
What’s the InChI string of Bucharidine?
InChI=1S/C19H25NO4/c1-11(19(4)10-9-14(21)18(2,3)24-19)15-16(22)12-7-5-6-8-13(12)20-17(15)23/h5-8,11,14,21H,9-10H2,1-4H3,(H2,20,22,23)
What’s the InChIKey code of Bucharidine?
FNNBYKQCHDQXOO-UHFFFAOYSA-N

10 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).