Chemical Properties of 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)- (CAS 25522-96-7)

2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-

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InChI
InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3
InChI Key
QARXXMMQVDCYGZ-UHFFFAOYSA-N
Formula
C21H30O5
SMILES
CC(C)=CCC(=O)C1(O)C(O)=C(C(=O)CC(C)C)C(=O)C1CC=C(C)C
Molecular Weight1
362.46
CAS
25522-96-7
Other Names
  • 3-Penten-1-one, 1-[1,2-dihydroxy-3-isovaleryl-5-(3-methyl-2-butenyl)-4-oxo-2-cyclopenten-1-yl]-4-methyl-
  • Isohumulone
  • trans-Isohumulone
  • 3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one
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Physical Properties

Property Value Unit Source
Δf -353.18 kJ/mol Joback Calculated Property
Δfgas -844.29 kJ/mol Joback Calculated Property
Δfus 44.44 kJ/mol Joback Calculated Property
Δvap 113.54 kJ/mol Joback Calculated Property
log10WS -4.62 Crippen Calculated Property
logPoct/wat 3.625 Crippen Calculated Property
McVol 299.440 ml/mol McGowan Calculated Property
Pc 1515.21 kPa Joback Calculated Property
Inp 2715.00 NIST
Tboil 1067.41 K Joback Calculated Property
Tc 1307.58 K Joback Calculated Property
Tfus 619.43 K Joback Calculated Property
Vc 1.149 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1050.52; 1182.33] J/mol×K [1067.41; 1307.58] Show Hide
Cp,gas 1050.52 J/mol×K 1067.41 Joback Calculated Property
Cp,gas 1071.12 J/mol×K 1107.44 Joback Calculated Property
Cp,gas 1092.01 J/mol×K 1147.47 Joback Calculated Property
Cp,gas 1113.39 J/mol×K 1187.50 Joback Calculated Property
Cp,gas 1135.45 J/mol×K 1227.53 Joback Calculated Property
Cp,gas 1158.36 J/mol×K 1267.56 Joback Calculated Property
Cp,gas 1182.33 J/mol×K 1307.58 Joback Calculated Property

Similar Compounds

cis-Isoadhumulone, TMS. trans-Isoadhumulone, TMS. 4'-Dihydroconsabatine. Gelsemine. Baptifoline. Ibogaine. Yohimbine. Mucronatinine. Pumiline A. Argentamin. Epibaptifoline. Axillarine. azadirachtin. 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Dihydromorphine , di(trimehylsilyl) ether.

Find more compounds similar to 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-.

Sources

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