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CAS No.: | 822-50-4 |
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Name: | 1,2-TRANS-DIMETHYLCYCLOPENTANE |
Article Data: | 64 |
Molecular Structure: | |
Formula: | C7H14 |
Molecular Weight: | 98.1882 |
Synonyms: | Cyclopentane,1,2-dimethyl-, trans- (8CI);NSC 74147;trans-1,2-Dimethylcyclopentane; |
EINECS: | 212-500-8 |
Density: | 0.762 g/cm3 |
Melting Point: | -117.57°C |
Boiling Point: | 91.9 °C at 760 mmHg |
PSA: | 0.00000 |
LogP: | 2.44250 |
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The Cyclopentane,1,2-dimethyl-, (1R,2R)-rel-, with the CAS registry number 822-50-4, is also known as Cyclopentane,1,2-dimethyl-, trans- (8CI) and trans-1,2-Dimethylcyclopentane. Its EINECS registry number is 212-500-8. This chemical's molecular formula is C7H14 and molecular weight is 98.1861. What's more, both its IUPAC name and systematic name are the same which is called (1R,2R)-1,2-Dimethylcyclopentane.
Physical properties about Cyclopentane,1,2-dimethyl-, (1R,2R)-rel- are: (1) ACD/LogP: 3.81; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 0; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 0; (6) Polar Surface Area: 0 Å2; (7) Index of Refraction: 1.418; (8) Molar Refractivity: 32.47 cm3; (9) Molar Volume: 128.6 cm3; (10) Polarizability: 12.87×10-24 cm3; (11) Surface Tension: 22 dyne/cm; (12) Density: 0.762 g/cm3; (13) Enthalpy of Vaporization: 31.8 kJ/mol; (14) Boiling Point: 91.9 °C at 760 mmHg; (15) Vapour Pressure: 59.9 mmHg at 25 °C.
Preparation of Cyclopentane,1,2-dimethyl-, (1R,2R)-rel-: this chemical is prepared by 6-Iodo-hept-1-ene. This reaction needs reagent LiEt3BD and solvent tetrahydrofuran. The reaction time is 2 hours. The yield is 90 %. And the reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: C[C@@H]1CCC[C@H]1C
(2) InChI: InChI=1/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m1/s1
(3) InChIKey: RIRARCHMRDHZAR-RNFRBKRXBS