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)-

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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
ΔfG° -83.61 kJ/mol Joback Calculated Property
ΔfH°gas -600.23 kJ/mol Joback Calculated Property
ΔfusH° 62.62 kJ/mol Joback Calculated Property
ΔvapH° 94.50 kJ/mol Joback Calculated Property
log10WS -4.26 Crippen Calculated Property
logPoct/wat 2.718 Crippen Calculated Property
McVol 243.480 ml/mol McGowan Calculated Property
Pc 2327.03 kPa Joback Calculated Property
Inp [3096.20; 3096.20]   Show Hide
Inp 3096.20 NIST
Inp 3096.20 NIST
Tboil 966.28 K Joback Calculated Property
Tc 1230.68 K Joback Calculated Property
Tfus 670.17 K Joback Calculated Property
Vc 0.907 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [823.89; 894.20] J/mol×K [966.28; 1230.68] Show Hide
Cp,gas 823.89 J/mol×K 966.28 Joback Calculated Property
Cp,gas 837.98 J/mol×K 1010.35 Joback Calculated Property
Cp,gas 850.93 J/mol×K 1054.41 Joback Calculated Property
Cp,gas 862.87 J/mol×K 1098.48 Joback Calculated Property
Cp,gas 873.97 J/mol×K 1142.55 Joback Calculated Property
Cp,gas 884.36 J/mol×K 1186.62 Joback Calculated Property
Cp,gas 894.20 J/mol×K 1230.68 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. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester.

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