Cas no 102617-49-2 (Bis-(cyclohexylmethyl)acetic acid)

Bis-(cyclohexylmethyl)acetic acid structure
102617-49-2 structure
Product Name:Bis-(cyclohexylmethyl)acetic acid
CAS No:102617-49-2
MF:C16H28O2
MW:252.392325401306
CID:2194710
Update Time:2023-08-07

Bis-(cyclohexylmethyl)acetic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanepropanoic acid,a-(cyclohexylmethyl)-
    • 3-cyclohexyl-2-(cyclohexylmethyl)propanoic acid
    • bis-(cyclohexylmethyl)acetic acid
    • HYWIEQGSJZPUNG-UHFFFAOYSA-N
    • Bis-(cyclohexylmethyl)acetic acid
    • Inchi: 1S/C16H28O2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h13-15H,1-12H2,(H,17,18)
    • InChI Key: HYWIEQGSJZPUNG-UHFFFAOYSA-N
    • SMILES: OC(C(CC1CCCCC1)CC1CCCCC1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 230
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Density: 0.991±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.015 g/l) (25 o C),
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