Cas no 73529-70-1 (1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl- (9CI))

1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl- (9CI) structure
73529-70-1 structure
Product Name:1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl- (9CI)
CAS No:73529-70-1
MF:C39H60O2
MW:560.892512321472
CID:570495
PubChem ID:44147019
Update Time:2025-04-19

1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,1'-Spirobi[1H-indene]-6,6'-diol,2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl- (9CI)
    • 2,2',3,3'-Tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl-1,1'-spirobi(1H-indene)-6,6'-diol
    • 1,1,1',1'-tetramethyl-6,6'-bis(7-methyloctyl)-3,3'-spirobi[2H-indene]-5,5'-diol
    • 2,2',3,3'-tetrahydro-5,5'-diisononyl-3,3,3',3'-tetramethyl-1,1'-spirobi[1H-indene]-6,6'-diol
    • NS00037528
    • DTXSID20223734
    • 73529-70-1
    • EINECS 277-529-0
    • Inchi: 1S/C39H60O2/c1-27(2)17-13-9-11-15-19-29-21-31-33(23-35(29)40)39(25-37(31,5)6)26-38(7,8)32-22-30(36(41)24-34(32)39)20-16-12-10-14-18-28(3)4/h21-24,27-28,40-41H,9-20,25-26H2,1-8H3
    • InChI Key: ZZWLQIMILBITLS-UHFFFAOYSA-N
    • SMILES: OC1C(CCCCCCC(C)C)=CC2=C(C=1)C1(C3C=C(C(CCCCCCC(C)C)=CC=3C(C)(C)C1)O)CC2(C)C

Computed Properties

  • Exact Mass: 560.459
  • Monoisotopic Mass: 560.459
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 14
  • Complexity: 729
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5A^2
  • XLogP3: 14.4
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