Chemical Properties of Cacalohastine

Cacalohastine

InChI
InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m1/s1
InChI Key
WCJNJWNPAYBQPW-SECBINFHSA-N
Formula
C16H18O2
SMILES
COc1c2c(c(C)c3c(C)coc13)C(C)CC=C2
Molecular Weight1
242.31
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Physical Properties

Property Value Unit Source
ω 0.5836 Relay (1.0) Calculated Property
ΔfG° 82.02 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -132.94 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 88.84 kJ/mol Relay (1.0) Calculated Property
IE 7.32 eV Relay (1.0) Calculated Property
log10WS -4.64 Relay (1.0) Calculated Property
logPoct/wat 4.579 Crippen Calculated Property
McVol 193.960 ml/mol McGowan Calculated Property
Pc 1852.52 kPa Relay (1.0-beta) Calculated Property
Inp [2055.00; 2055.00]   Show Hide
Inp 2055.00 NIST
Inp 2055.00 NIST
I [2820.00; 2820.00]   Show Hide
I 2820.00 NIST
I 2820.00 NIST
Tboil 622.29 K Relay (1.0) Calculated Property
Tc 871.20 K Relay (1.0) Calculated Property
Tfus 363.75 K Relay (1.0) Calculated Property
Vc 0.723 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

risperidone. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. 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 Cacalohastine.

Sources

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