Cas no 50373-29-0 (1-Hexanol, 2-ethyl-, (R)-)

1-Hexanol, 2-ethyl-, (R)- structure
1-Hexanol, 2-ethyl-, (R)- structure
Product Name:1-Hexanol, 2-ethyl-, (R)-
CAS No:50373-29-0
MF:C8H18O
MW:130.227922916412
CID:365037
PubChem ID:6991979
Update Time:2025-04-19

1-Hexanol, 2-ethyl-, (R)- Chemical and Physical Properties

Names and Identifiers

    • 1-Hexanol, 2-ethyl-, (R)-
    • 2-Ethyl-hexan-1-ol
    • SCHEMBL8420801
    • 50373-29-0
    • (r)-2-ethylhexanol
    • ZINC01529451
    • DTXSID50426296
    • (R)-2-Ethylhexan-1-ol
    • Inchi： 1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3/t8-/m1/s1
    • InChI Key： YIWUKEYIRIRTPP-MRVPVSSYSA-N
    • SMILES： OC[C@H](CC)CCCC

Computed Properties

  • Exact Mass: 130.13584
  • Monoisotopic Mass: 130.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 52.5
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

1-Hexanol, 2-ethyl-, (R)- Related Literature

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