Cas no 25495-88-9 (Hexane, methyl-)

Hexane, methyl- structure
Hexane, methyl- structure
Product Name:Hexane, methyl-
CAS No:25495-88-9
MF:C7H16
MW:100.201942443848
CID:277300
Update Time:2024-01-27

Hexane, methyl- Chemical and Physical Properties

Names and Identifiers

    • Hexane, methyl-
    • Methylhexane
    • Inchi： 1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
    • InChI Key： IMNFDUFMRHMDMM-UHFFFAOYSA-N
    • SMILES： C(C)CCCCC

Computed Properties

  • Exact Mass: 100.12528
  • Monoisotopic Mass: 483.023886
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 3
  • Complexity: 849
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 175

Experimental Properties

  • PSA: 0

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