Chemical Properties of 3,16,17-Tris[(trimethylsilyl)oxy]estra-1,3,5(10)-triene, (16«beta»,17«beta»)- (CAS 57305-21-2)

InChI

InChI=1S/C27H48O3Si3/c1-27-16-15-22-21-14-12-20(28-31(2,3)4)17-19(21)11-13-23(22)24(27)18-25(29-32(5,6)7)26(27)30-33(8,9)10/h12,14,17,22-26H,11,13,15-16,18H2,1-10H3/t22?,23?,24?,25-,26+,27?/m1/s1

InChI Key

MCKRDIGCTGOZEH-QWIJPDLKSA-N

Formula

C27H48O3Si3

SMILES

CC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1CC(O[Si](C)(C)C)C2O[Si](C)(C)C

Molecular Weight¹

504.92

CAS

57305-21-2

Other Names

• Silane, [[(16«beta»,17«beta»)-estra-1,3,5(10)-triene-3,16,17-triyl]tris(oxy)]tris[trimethyl-
• Epiestriol, tris-(trimethylsilyl) ether
• 16,17-Epiestriol, tri-TMS
• 16,17-epi-Oestriol, tris-TMS
• 16-epi-Oestriol, (3TMS)-
• 16-epi-Oestriol, TMS
• 16,17-Epiestriol, TMS
• 16,17-epi-Oestriol, TMS
• 16«BETA»,17«beta»-estriol, 3tms derivative

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.37		Crippen Calculated Property
logPoct/wat	7.806		Crippen Calculated Property
Inp	[2830.00; 2905.00]
Inp	2830.00		NIST
Inp	2830.00		NIST
Inp	2886.00		NIST
Inp	2890.00		NIST
Inp	2905.00		NIST
Inp	2853.00		NIST
Inp	2861.00		NIST

Similar Compounds

Find more compounds similar to 3,16,17-Tris[(trimethylsilyl)oxy]estra-1,3,5(10)-triene, (16«beta»,17«beta»)-.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook

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