Chemical Properties of 11-Ketoestradiol (enol), TMS

11-Ketoestradiol (enol), TMS

InChI
InChI=1S/C27H46O3Si3/c1-27-18-24(29-32(5,6)7)26-21-14-12-20(28-31(2,3)4)17-19(21)11-13-22(26)23(27)15-16-25(27)30-33(8,9)10/h12,14,17-18,22-23,25-26H,11,13,15-16H2,1-10H3/t22?,23?,25-,26?,27-/m1/s1
InChI Key
PPBFFDCVRWUUNH-ORLBZUTRSA-N
Formula
C27H46O3Si3
SMILES
CC12C=C(O[Si](C)(C)C)C3c4ccc(O[Si](C)(C)C)cc4CCC3C1CCC2O[Si](C)(C)C
Molecular Weight1
502.91
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Physical Properties

Property Value Unit Source
ω 0.7258 Relay (1.0) Calculated Property
ΔfG° 16.69 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -815.11 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 102.78 kJ/mol Relay (1.0) Calculated Property
IE 8.05 eV Relay (1.0) Calculated Property
log10WS -6.30 Relay (1.0) Calculated Property
logPoct/wat 7.932 Crippen Calculated Property
Pc -150.94 kPa Relay (1.0-beta) Calculated Property
Inp [2903.00; 2906.00]   Show Hide
Inp 2903.00 NIST
Inp 2906.00 NIST
Inp 2903.00 NIST
Tboil 694.16 K Relay (1.0) Calculated Property
Tc 942.92 K Relay (1.0) Calculated Property
Tfus 377.63 K Relay (1.0) Calculated Property
Vc 1.600 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. N-Desmethylmirtazapine. Benazepril Me. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to 11-Ketoestradiol (enol), TMS.

Sources

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