Cas no 125448-38-6 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI))

1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI) structure
125448-38-6 structure
Product Name:1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI)
CAS No:125448-38-6
MF:C30H50O3
MW:458.716209888458
CID:211492
Update Time:2024-01-26

1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI)
    • 1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-yli
    • 1,3-Cyclohexanediol,4-methylene-5-[[octahydro-1-(8-hydroxy-1,8-dimethylnonyl)-7a-methyl-4H-inden-4-ylidene]ethylidene]-,[1R-[1a(R*),3ab,4E(1R*,3S*,5Z),7aa]]-
    • MC 1179
    • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
    • Inchi： 1S/C30H50O3/c1-21(11-8-6-7-9-17-29(3,4)33)26-15-16-27-23(12-10-18-30(26,27)5)13-14-24-19-25(31)20-28(32)22(24)2/h13-14,21,25-28,31-33H,2,6-12,15-20H2,1,3-5H3/b23-13+,24-14-/t21-,25-,26-,27+,28+,30-/m1/s1
    • InChI Key： MLLRCQVZBGUACG-JJADZVGUSA-N
    • SMILES： [C@@H]1(O)C/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)CCCCCCC(O)(C)C)/C(=C)[C@@H](O)C1

Computed Properties

  • Exact Mass: 272.08309

Experimental Properties

  • Density: 1.04±0.1 g/cm3(Predicted)
  • Boiling Point: 596.6±50.0 °C(Predicted)
  • PSA: 52.54
  • pka: 14.43±0.40(Predicted)

1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI) Related Literature

125448-38-6 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-8-hydroxy-1,8-dimethylnonyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI)) Related Products

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