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Name |
1,1'-Spirobi[1H-indene]-4,4',5,5',6,6'-hexol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- |
EINECS | N/A |
CAS No. | 65192-09-8 | Density | 1.54 g/cm3 |
PSA | 121.38000 | LogP | 3.56890 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H24O6 | Boiling Point | 632.7 °C at 760 mmHg |
Molecular Weight | 372.41 | Flash Point | 293.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,3,3',3'-Tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol; |
The 1,1'-Spirobi[1H-indene]-4,4',5,5',6,6'-hexol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- is an organic compound with the formula C21H24O6. The IUPAC name of this chemical is 3,3,3',3'-Tetramethyl-1,1'-spirobi[2H-indene]-4,4',5,5',6,6'-hexol. The CAS registry number of this chemical is 65192-09-8. Besides, its molecular weight is 372.41.
The physical properties of 1,1'-Spirobi[1H-indene]-4,4',5,5',6,6'-hexol,2,2',3,3'-tetrahydro-3,3,3',3'-tetramethyl- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 275.62; (6)ACD/BCF (pH 7.4): 269.67; (7)ACD/KOC (pH 5.5): 1942.45; (8)ACD/KOC (pH 7.4): 1900.5; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.38 Å2; (13)Index of Refraction: 1.748; (14)Molar Refractivity: 98.23 cm3; (15)Molar Volume: 241.5 cm3; (16)Polarizability: 38.94×10-24 cm3; (17)Surface Tension: 95.7 dyne/cm; (18)Density: 1.54 g/cm3; (19)Flash Point: 293.8 °C; (20)Enthalpy of Vaporization: 96.95 kJ/mol; (21)Boiling Point: 632.7 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-16 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc2c(c(O)c1O)C(CC24c3c(c(O)c(O)c(O)c3)C(C4)(C)C)(C)C
(2)InChI: InChI=1/C21H24O6/c1-19(2)7-21(9-5-11(22)15(24)17(26)13(9)19)8-20(3,4)14-10(21)6-12(23)16(25)18(14)27/h5-6,22-27H,7-8H2,1-4H3
(3)InChIKey: LFMCTLLZHYCABW-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C21H24O6/c1-19(2)7-21(9-5-11(22)15(24)17(26)13(9)19)8-20(3,4)14-10(21)6-12(23)16(25)18(14)27/h5-6,22-27H,7-8H2,1-4H3
(5)Std. InChIKey: LFMCTLLZHYCABW-UHFFFAOYSA-N