Chemical Properties of cannabinolic acid, TMS

cannabinolic acid, TMS

InChI
InChI=1S/C28H42O4Si2/c1-11-12-13-14-20-18-23-25(21-17-19(2)15-16-22(21)28(3,4)30-23)26(31-33(5,6)7)24(20)27(29)32-34(8,9)10/h15-18H,11-14H2,1-10H3
InChI Key
VMNPNZRMQWEPIJ-UHFFFAOYSA-N
Formula
C28H42O4Si2
SMILES
CCCCCc1cc2c(c(O[Si](C)(C)C)c1C(=O)O[Si](C)(C)C)-c1cc(C)ccc1C(C)(C)O2
Molecular Weight1
498.80
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Physical Properties

Property Value Unit Source
ω 1.0446 Relay (1.0) Calculated Property
ΔfG° -219.17 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -939.88 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 111.28 kJ/mol Relay (1.0) Calculated Property
IE 7.78 eV Relay (1.0) Calculated Property
log10WS -7.46 Relay (1.0) Calculated Property
logPoct/wat 8.228 Crippen Calculated Property
Inp 2743.00 NIST
Tboil 712.32 K Relay (1.0) Calculated Property
Tc 980.95 K Relay (1.0) Calculated Property
Tfus 367.82 K Relay (1.0) Calculated Property
Vc 1.612 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

propyl-cannabinolic acid, TMS. risperidone. N-Desmethylmirtazapine. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. cannabinolic acid, n-butyl-boronate. Methysergide. Heptafluorobutyryl-codeine. 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 cannabinolic acid, TMS.

Sources

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