[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] supplier

Name
[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane]
EINECS
CAS No. 112670-85-6
Article Data1
CAS DataBase
Density 0.92 g/cm³
Solubility
Melting Point
Formula C₃₉H₇₂O₂Si₂
Boiling Point 598.8 °C at 760 mmHg
Molecular Weight 629.17
Flash Point 270.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Silane,[[(1a,3b,5E,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-(9CI);[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane];
PSA 18.46000
LogP 12.64880

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] Specification

The [[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane], with the cas number 112670-85-6, is also called Silane,[[(1a,3b,5E,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethyl-(9CI). The systematic name is 1H-indene,4-[(2E)-2-[(3S,5R)-3,5-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2-methylenecyclohexylidene]ethylidene]-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-,(1R,3aS,4E,7aR)-. Its molecular formula is C₃₉H₇₂O₂Si₂.

The properties of the chemical are: (1)ACD/LogP: 15.43; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 15.43; (4)ACD/LogD (pH 7.4): 15.43; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 196.29 cm³; (15)Molar Volume: 676.7 cm³; (16)Polarizability: 77.81×10^-24cm³; (17)Surface Tension: 30.8 dyne/cm; (18)Enthalpy of Vaporization: 85.88 kJ/mol; (19)Vapour Pressure: 1.15×10^-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
(2)InChI: InChI=1/C39H72O2Si2/c1-28(2)18-16-19-29(3)34-23-24-35-31(20-17-25-39(34,35)11)21-22-32-26-33(40-42(12,13)37(5,6)7)27-36(30(32)4)41-43(14,15)38(8,9)10/h21-22,28-29,33-36H,4,16-20,23-27H2,1-3,5-15H3/b31-21+,32-22+/t29-,33-,34-,35+,36+,39-/m1/s1
(3)InChIKey: YYGPOUVOBLNWHS-YCDCPRPKBI

Product Name

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane]

[[(1a,3b,5E,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3-diyl]bis(oxy)]bis[(1,1-dimethylethyl)dimethylsilane] Specification

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