Degree of unsaturation calculation

Answer Sulfur is in the same group as oxygen. Thus, there is no effect on the degree of unsaturation calculation. 

ThomsonMOW Click Organic Interactive to practice calculating degrees of unsaturation. 

In general, each ting or double bond in a molecule corresponds to a loss of two hydrogens from the alkane formula ChH2/1+2- Knowing this relationship, it s possible to work backward from a molecular formula to calculate a molecule s degree of unsaturation—the number of rings and/or multiple bonds present in the molecule. 

Let s assume that we want to find the structure of an unknown hydrocarbon. A molecular weight determination on the unknown yields a value of 82, which corresponds to a molecular formula of CfcHjo Since the saturated Q alkane (hexane) has the formula C61-114, the unknown compound has two fewer pairs of hydrogens (H]4 - H l() = H4 = 2 H2), and its degree of unsaturation is two. The unknown therefore contains two double bonds, one ring and one double bond, two rings, or one triple bond. There s still a long way to go to establish structure, but the simple calculation has told us a lot about the molecule. 

Problem 6.1 ] Calculate the degree of unsaturation in the following formulas, and then draw as J many structures as von can for each ... 

Problem 6.2 Calculate the degree of unsaturation in the following formulas ... 

As noted in Section 6.2, it usually helps with compounds of known formula but unknown structure to calculate the compound s degree of unsaturation. In the present instance, a formula of C4H10O corresponds to a saturated, open-chain molecule. 

Degenerate orbitals, 522 Degree of unsaturation. 174 calculation of, 174-176 Dehydration, 214... 

Obtain a secure molecular formula, and calculate the degree of unsaturation. 

In this book, in order that you can concentrate your attention on the NMR spectra, we shall provide you with the molecular formula in all cases. This in turn provides you with information which can be extremely useful during the process of solving the structure if the molecule only contains C, H, N and O then you can use the molecular formula to obtain the number of so-called double bond equivalents, i.e. information on the degree of unsaturation. Though there are various formulas which can be devised to do this, we recommend the calculation using the following formula for a molecule CaHbOcNd, the number of double bond equivalents DBE is calculated as follows... 

Calculating R one gets, besides degree of unsaturation, another important parameter. If R has an integer value, the corresponding ion is odd-electron, that is, it can be molecular. If R has a noninteger value, the corresponding ion is even-electron, that is, it cannot be molecular. 

The degree of unsaturation can be calculated from the molecular formula for all compounds containing C, H, N, O, S or the halogens. There are 3 basic steps in calculating the degree of unsaturation ... 

The degree of unsaturation or average number of double bonds and oxidizability is calculated from the FA composition as... 

Despite the insights provided by measurements of the concentrations of DOC, DON, and DOP and their molar ratios in bulk seawater, these data alone are insufficient to calculate the mass percentage of carbon in marine DOM, the average oxidation state of carbon in marine DOM, or the degree of unsaturation of marine DOM. All such calculations require that the concentrations of organically bound H and O also be measured. Such measurements cannot be made directly on aqueous samples. 

The task of drawing isomers for a particular formula can be made easier by comparing the number of hydrogens with the number of carbons in the formula. Such a comparison allows the calculation of the degree of unsaturation, which furnishes useful information about possible structures that will fit the formula (such as whether double bonds can be present) and provides a starting point for drawing isomers. 

Any compound whose formula has two hydrogens less than the maximum number possible (2n + 2) must contain one double bond or one ring. The total number of multiple bonds plus rings is called the degree of unsaturation (DU) and is equal to 1 for this case. The DU of a compound can be calculated by using the following formula ... 

Step 1. Calculate the degree of unsaturation if the formula is available. 

Degree of unsaturation (DU) (Section 2.4) The total number of multiple bonds plus rings in a compound. The DU is calculated by subtracting the actual number of hydrogens in a compound from the maximum number of hydrogens and dividing the result by 2. 

To calculate degree of unsaturation of a compound, first determine the equivalent hydrocarbon formula of the compound. 

---