(3S,3aS,6S)-3-(tert-Butyldimethylsilyloxy)-6-(hydroxymethyl)-3a,6-dimethyldecahydro-1H-cyclopenta[a]naphthalen-7(2H)-one (327048-93-1)

The systematic name of (3S,3aS,6S)-3-(tert-Butyldimethylsilyloxy)-6-(hydroxymethyl)-3a,6-dimethyldecahydro-1H-cyclopenta[a]naphthalen-7(2H)-one is (3S,3aS,6S)-3-[tert-Butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-3a,6-dimethyl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-one. With the CAS registry number 327048-93-1, it is also named as 7H-benz[e]inden-7-one, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]dodecahydro-6-(hydroxymethyl)-3a,6-dimethyl-, (3S,3aS,6S)-. The product's molecular formula is C₂₂H₄₀O₃Si and its molecular weight is 380.64. 

The other characteristics of (3S,3aS,6S)-3-(tert-Butyldimethylsilyloxy)-6-(hydroxymethyl)-3a,6-dimethyldecahydro-1H-cyclopenta[a]naphthalen-7(2H)-one can be summarized as: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.79; (4)ACD/LogD (pH 7.4): 4.79; (5)H bond acceptors: 3; (6)H bond donors: 1; (7)Freely Rotating Bonds: 5; (8)Polar Surface Area: 46.53 Å²; (9)Index of Refraction: 1.5; (10)Molar Refractivity: 109.86 cm³; (11)Molar Volume: 373.1 cm³; (12)Polarizability: 43.55×10^-24cm³; (13)Surface Tension: 34.7 dyne/cm; (14)Density: 1.02 g/cm³; (15)Flash Point: 218.6 °C; (16)Enthalpy of Vaporization: 80.18 kJ/mol; (17)Boiling Point: 437.9 °C at 760 mmHg; (18)Vapour Pressure: 1.66E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:CC12CCC3C(C1CCC2O[Si](C)(C)C(C)(C)C)CCC(=O)C3(C)CO
(2)InChI:InChI=1/C22H40O3Si/c1-20(2,3)26(6,7)25-19-11-9-16-15-8-10-18(24)22(5,14-23)17(15)12-13-21(16,19)4/h15-17,19,23H,8-14H2,1-7H3/t15,16,17,19-,21-,22+/m0/s1
(3)InChIKey:FUNLLIJOYNVIFA-BYZAFRQWBE
(4)Std. InChI:InChI=1S/C22H40O3Si/c1-20(2,3)26(6,7)25-19-11-9-16-15-8-10-18(24)22(5,14-23)17(15)12-13-21(16,19)4/h15-17,19,23H,8-14H2,1-7H3/t15,16,17,19-,21-,22+/m0/s1
(5)Std. InChIKey:FUNLLIJOYNVIFA-BYZAFRQWSA-N