Chemical Properties of 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)- (CAS 26543-89-5)

2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-

InChI
InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
InChI Key
DDWGQGZPYDSYEL-LSDHHAIUSA-N
Formula
C20H18O6
SMILES
O=C1OCC(Cc2ccc3c(c2)OCO3)C1Cc1ccc2c(c1)OCO2
Molecular Weight1
354.35
CAS
26543-89-5
Other Names
  • 2(3H)-Furanone, dihydro-3,4-dipiperonyl-, trans-(-)-
  • Cubebinolide
  • Hinokinin
  • (3R,4R)-3,4-bis(Benzo[d][1,3]dioxol-5-ylmethyl)dihydrofuran-2(3H)-one
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Physical Properties

Property Value Unit Source
ΔfusH° 63.70 kJ/mol Joback Calculated Property
IE 7.93 eV Relay (1.0) Calculated Property
logPoct/wat 2.718 Crippen Calculated Property
McVol 243.480 ml/mol McGowan Calculated Property
Inp [3096.20; 3096.20]   Show Hide
Inp 3096.20 NIST
Inp 3096.20 NIST
Tboil 726.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [795.03; 869.41] J/mol×K [921.39; 1168.41] Show Hide
Cp,gas 795.03 J/mol×K 921.39 Joback Calculated Property
Cp,gas 808.82 J/mol×K 962.56 Joback Calculated Property
Cp,gas 821.83 J/mol×K 1003.73 Joback Calculated Property
Cp,gas 834.22 J/mol×K 1044.90 Joback Calculated Property
Cp,gas 846.17 J/mol×K 1086.07 Joback Calculated Property
Cp,gas 857.84 J/mol×K 1127.24 Joback Calculated Property
Cp,gas 869.41 J/mol×K 1168.41 Joback Calculated Property
η [0.0009960; 0.0028687] Pa×s [624.75; 921.39] Show Hide
η 0.0028687 Pa×s 624.75 Joback Calculated Property
η 0.0022545 Pa×s 674.19 Joback Calculated Property
η 0.0018310 Pa×s 723.63 Joback Calculated Property
η 0.0015272 Pa×s 773.07 Joback Calculated Property
η 0.0013019 Pa×s 822.51 Joback Calculated Property
η 0.0011301 Pa×s 871.95 Joback Calculated Property
η 0.0009960 Pa×s 921.39 Joback Calculated Property

Similar Compounds

(3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3-((7-Methoxybenzo[d][1,3]dioxol-5-yl)methyl)-4-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3,4-bis(3,4,5-Trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R)-trans-Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone diTMS. tetrahydro-3,4-dipiperonylfuran-2-ol. Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 5,8,8a,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-, [5R-(5«alpha»,5a«beta»,8a«alpha»)]-. 7-tiglyl echinatine, diTMS, dihydro. 7-angelyl echinatine, diTMS, dihydro. Quinine. Quinidine. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2.

Find more compounds similar to 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-.

Sources

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