Cas no 2613-65-2 (Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel-)

Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel- structure
2613-65-2 structure
Product Name:Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel-
CAS No:2613-65-2
MF:C8H16
MW:112.212642669678
CID:258199
PubChem ID:6432281
Update Time:2024-03-01

Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel- Chemical and Physical Properties

Names and Identifiers

    • Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel-
    • 1-ethyl-3(trans)-methylcyclopentane
    • 1-Ethyl-3-methylcyclopentane, (E)-
    • 1-Methyl-3-ethylcyclopentane, trans
    • 1-Methyl-trans-3-ethylcyclopentane
    • t-1-Ethyl-3-methylcyclopentane
    • trans-1-Ethyl-3-Methylcyclopentane
    • trans-3-Ethyl-1-methylcyclopentane
    • Cyclopentane,1-ethyl-3-methyl-,(1R,3R)-rel-
    • Inchi: 1S/C8H16/c1-3-8-5-4-7(2)6-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
    • InChI Key: PQXAPVOKLYINEI-HTQZYQBOSA-N
    • SMILES: [C@@H]1(CC)CC[C@@H](C)C1

Computed Properties

  • Exact Mass: 112.12528
  • Monoisotopic Mass: 112.125200510g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 1
  • Complexity: 66.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 0.7626 g/cm3
  • Melting Point: -108 °C
  • Boiling Point: 121 °C
  • PSA: 0

Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel- Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Vanadium ;  100 - 550 °C
Reference
Catalytic conversion of alcohols having at least three carbon atoms to hydrocarbon blendstock
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Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel- Raw materials

Cyclopentane,1-ethyl-3-methyl-, (1R,3R)-rel- Preparation Products

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