Chemical Properties of (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate (CAS 76-66-4)

(E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate

InChI
InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+
InChI Key
DAXYUDFNWXHGBE-DTQAZKPQSA-N
Formula
C22H28N2O4
SMILES
CCC1CN2CCC3(C(O)=Nc4ccccc43)C2CC1C(=COC)C(=O)OC
Molecular Weight1
384.47
CAS
76-66-4
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Physical Properties

Property Value Unit Source
ω 0.8141 Relay (1.0) Calculated Property
ΔfG° -2.63 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -483.32 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 146.79 kJ/mol Relay (1.0) Calculated Property
IE 7.25 eV Relay (1.0) Calculated Property
log10WS -3.41 Relay (1.0) Calculated Property
logPoct/wat 3.350 Crippen Calculated Property
McVol 295.040 ml/mol McGowan Calculated Property
Pc 1239.54 kPa Relay (1.0-beta) Calculated Property
Inp [3009.60; 3009.60]   Show Hide
Inp 3009.60 NIST
Inp 3009.60 NIST
Tboil 691.26 K Relay (1.0) Calculated Property
Tc 1006.92 K Relay (1.0) Calculated Property
Tfus 445.25 K Relay (1.0) Calculated Property
Vc 1.033 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. 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 (E)-Methyl 2-((1'R,6'R,7'S,8a'S)-6'-ethyl-2-oxo-3',5',6',7',8',8a'-hexahydro-2'H-spiro[indoline-3,1'-indolizin]-7'-yl)-3-methoxyacrylate.

Sources

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