Chemical Properties of 5-«alpha»-Pregnan-3-one, MO

5-«alpha»-Pregnan-3-one, MO

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InChI
InChI=1S/C22H37NO/c1-5-15-7-9-19-18-8-6-16-14-17(23-24-4)10-12-22(16,3)20(18)11-13-21(15,19)2/h15-16,18-20H,5-14H2,1-4H3/t15-,16-,18?,19?,20?,21+,22-/m1/s1
InChI Key
BPMVIIIFXZWLED-OXQRJJEOSA-N
Formula
C22H37NO
SMILES
CCC1CCC2C3CCC4CC(=NOC)CCC4(C)C3CCC12C
Molecular Weight1
331.54
Sources

Physical Properties

Property Value Unit Source
Δfgas -358.74 kJ/mol Joback Calculated Property
Δvap 68.40 kJ/mol Joback Calculated Property
logPoct/wat 6.06 Crippen Calculated Property
Pc 1240.71 kPa Joback Calculated Property
Tboil 839.12 K Joback Calculated Property
Tc 1075.45 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-N= 1
=C< (ring) 1
-CH2- 1
>C< (ring) 2
-CH3 4
>CH- (ring) 5
-CH2- (ring) 9

Similar Compounds

5-«beta»-Pregnan-3-one, MO. 5«alpha»-Cholestan-3-one, MO, # 2. 5«beta»-Cholestan-3-one, MO. 5«alpha»-Cholestan-3-one, MO, # 1. 5«alpha»-Androstan-3-one, MO, # 1. 5«alpha»-Androstan-3-one, MO, # 2. Pregnanedione, MO TMS. 5«alpha»-pregnane-3,20-dione, MO-TMS, syn. 5-«beta»-Pregnan-3,11-dione, MO. 5«alpha»-pregnane-3,20-dione, MO-TMS, anti. 5«beta»-Pregnane-3,20-dione, bis(O-methyloxime). 5-«alpha»-Pregnan-3,11-dione, MO. 5-«alpha»-Pregnan-11-one, MO. 5-«beta»-Pregnan-11-one, MO. 5.alpha.-Pregnan-3,20-dione, MO, # 1.

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