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Cyclopentane,1,3-dimethyl-, (1R,3S)-rel-

  • Name Cyclopentane,1,3-dimethyl-, (1R,3S)-rel-
  • EINECS219-793-1
  • CAS No. 2532-58-3
  • Density0.762 g/cm3
  • PSA0.00000
  • LogP2.44250
  • SolubilityN/A
  • Melting Point-133.7°C
  • FormulaC7H14
  • Boiling Point90.8 °C at 760 mmHg
  • Molecular Weight98.1882
  • Flash Point-5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 2532-58-3 (CIS-1,3-DIMETHYLCYCLOPENTANE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data19

Cyclopentane,1,3-dimethyl-, (1R,3S)-rel- Specification

The Cyclopentane,1,3-dimethyl-, (1R,3S)-rel-, with the CAS registry number 2532-58-3, is also known as Cyclopentane,1,3-dimethyl-, cis- (8CI) and cis-1,3-Dimethylcyclopentane. This chemical's molecular formula is C7H14 and molecular weight is 98.1861. What's more, its systematic name is (1R,3S)-1,3-Dimethylcyclopentane.

Physical properties about Cyclopentane,1,3-dimethyl-, (1R,3S)-rel- are: (1) ACD/LogP: 3.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.81; (4) ACD/LogD (pH 7.4): 3.81; (5) ACD/BCF (pH 5.5): 459.43; (6) ACD/BCF (pH 7.4): 459.43; (7) ACD/KOC (pH 5.5): 2800.42; (8) ACD/KOC (pH 7.4): 2800.42; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.418; (14) Molar Refractivity: 32.47 cm3; (15) Molar Volume: 128.6 cm3; (16) Polarizability: 12.87×10-24 cm3; (17) Surface Tension: 22 dyne/cm; (18) Density: 0.762 g/cm3; (19) Enthalpy of Vaporization: 30.4 kJ/mol; (20) Boiling Point: 90.8 °C at 760 mmHg; (21) Vapour Pressure: 62.6 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H]1CC[C@@H](C)C1
(2) InChI: InChI=1/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7+
(3) InChIKey: XAZKFISIRYLAEE-KNVOCYPGBY

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