Cas no 100912-15-0 (1-Tridecyn-3-ol,3-methyl-)

1-Tridecyn-3-ol,3-methyl- structure
1-Tridecyn-3-ol,3-methyl- structure
Product Name:1-Tridecyn-3-ol,3-methyl-
CAS No:100912-15-0
MF:C14H26O
MW:210.355644702911
CID:203398
PubChem ID:44146108
Update Time:2025-04-19

1-Tridecyn-3-ol,3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Tridecyn-3-ol,3-methyl-
    • 3-METHYL-1-TRIDECYN-3-OL
    • 3-methyltridec-1-yn-3-ol
    • SCHEMBL5455594
    • DTXSID90888798
    • 100912-15-0
    • 1-Tridecyn-3-ol, 3-methyl-
    • Inchi: 1S/C14H26O/c1-4-6-7-8-9-10-11-12-13-14(3,15)5-2/h2,15H,4,6-13H2,1,3H3
    • InChI Key: VRIOCRYNFBWGRF-UHFFFAOYSA-N
    • SMILES: OC(C#C)(C)CCCCCCCCCC

Computed Properties

  • Exact Mass: 210.19848
  • Monoisotopic Mass: 210.198
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 10
  • Complexity: 189
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 20.2A^2
  • XLogP3: 4.9

Experimental Properties

  • Refractive Index: 1.461
  • PSA: 20.23
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