Chemical Properties of 11-Ketoetiocholanolone MO TMS

InChI

InChI=1S/C24H42N2O3Si/c1-23-13-12-17(29-30(5,6)7)14-16(23)8-9-18-19-10-11-21(26-28-4)24(19,2)15-20(22(18)23)25-27-3/h16-19,22H,8-15H2,1-7H3/b25-20+,26-21+/t16-,17-,18?,19?,22?,23+,24+/m0/s1

InChI Key

CZAVIQKBQLKTIH-OUBBBTIISA-N

Formula

C24H42N2O3Si

SMILES

CON=C1CC2(C)C(=NOC)CCC2C2CCC3CC(O[Si](C)(C)C)CCC3(C)C12

Molecular Weight¹

434.69

Other Names

• 11-oxoetiocholanolone, MO TMS

• 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	-3.73		Crippen Calculated Property
logPoct/wat	5.864		Crippen Calculated Property
Inp	[2601.00; 2656.00]
Inp	2656.00		NIST
Inp	2627.00		NIST
Inp	2630.00		NIST
Inp	2610.00		NIST
Inp	2632.00		NIST
Inp	2636.00		NIST
Inp	2610.00		NIST
Inp	2646.00		NIST
Inp	2601.00		NIST
Inp	2601.00		NIST
Inp	2627.00		NIST
Inp	2610.00		NIST
Inp	2656.00		NIST

Similar Compounds

Find more compounds similar to 11-Ketoetiocholanolone MO TMS.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook

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