Structure & Deep Data of Rosenonolactone (C20H28O3)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Rosenonolactone molecule contains a total of 54 bond(s). There are 26 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 seven-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic), and 1 ketone(s) (aliphatic). Images of the chemical structure of Rosenonolactone are given below:

The 2D chemical structure image of Rosenonolactone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Rosenonolactone 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 Rosenonolactone 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 Rosenonolactone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Rosenonolactone Molecule

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

  The SMILES string of Rosenonolactone is CC1(CCC2(C)C(C1)C(=O)CC3C4(C)CCCC23OC4=O)C=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Rosenonolactone.

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

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

• Chemical formula of Rosenonolactone

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

• Molecular weight of Rosenonolactone

  The molecular weight of Rosenonolactone is available in molecular weight page of Rosenonolactone, 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 Rosenonolactone

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

  • 5-ETHENYL-2,5,11-TRIMETHYL-15-OXATETRACYCLO[9.3.2.0(1),(1)?.0(2),?]HEXADECANE-8,16-DIONE
  • 9H-4a,1-(Epoxymethano)phenanthrene-9,12-dione, 7-ethenyldodecahydro-1,4b,7-trimethyl-, (1S-(1alpha,4aalpha,4balpha,7alpha,8abeta,10abeta))-
  • 77A9658D4X
  • Rosenonolactone

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Rosenonolactone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Rosenonolactone?
C20H28O3
How many atoms and what are the elements included the Rosenonolactone molecule?
51 atom(s) - 28 Hydrogen atom(s), 20 Carbon atom(s), and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Rosenonolactone structure?
54 bond(s) - 26 non-H bond(s), 3 multiple bond(s), 1 rotatable bond(s), 3 double bond(s), 1 five-membered ring(s), 3 six-membered ring(s), 1 seven-membered ring(s), 1 nine-membered ring(s), 2 ten-membered ring(s), 1 ester(s) (aliphatic), and 1 ketone(s) (aliphatic)
What’s the Rosenonolactone’s molecular weight?
316.43452 g/mol
What’s the SMILES code of Rosenonolactone?
CC1(CCC2(C)C(C1)C(=O)CC3C4(C)CCCC23OC4=O)C=C
What’s the InChI string of Rosenonolactone?
InChI=1S/C20H28O3/c1-5-17(2)9-10-19(4)13(12-17)14(21)11-15-18(3)7-6-8-20(15,19)23-16(18)22/h5,13,15H,1,6-12H2,2-4H3
What’s the InChIKey code of Rosenonolactone?
HWECMADGHQKSLK-UHFFFAOYSA-N

8 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).