Chemical Properties of Iridomyrmecin (CAS 485-43-8)

Iridomyrmecin

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InChI
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-5-9(6)8/h6-9H,3-5H2,1-2H3/t6-,7-,8+,9+/m0/s1
InChI Key
LYEFRAMOOLOUKA-RBXMUDONSA-N
Formula
C10H16O2
SMILES
CC1CCC2C1COC(=O)C2C
Molecular Weight1
168.23
CAS
485-43-8
Other Names
  • Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-
  • Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«beta»,7«beta»,7a«beta»)-(-)-
  • Cyclopenta[c]pyran-3(1H)-one, hexahydro-4,7-dimethyl-, [4S-(4«alpha»,4a«beta»,7«beta»,7a«beta»)]-
  • Iridomirmecina
  • Iridomyrmexin
  • Isoiridomyrmecin
Sources

Physical Properties

Property Value Unit Source
Δf -105.61 kJ/mol Joback Calculated Property
Δfgas -432.99 kJ/mol Joback Calculated Property
Δfus 21.26 kJ/mol Joback Calculated Property
Δvap 46.34 kJ/mol Joback Calculated Property
logPoct/wat 1.84 Crippen Calculated Property
Pc 2820.33 kPa Joback Calculated Property
Tboil 539.92 K Joback Calculated Property
Tc 767.98 K Joback Calculated Property
Tfus 314.09 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 358.98 J/mol×K 539.92 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 2
>CH- (ring) 4
-CH2- (ring) 3
>C=O (ring) 1

Similar Compounds

Cyclopenta[c]pyran-1(3H)-one, hexahydro-4,7-dimethyl-, (4«alpha»,4a«alpha»,7«alpha»,7a«alpha»)-. Cyclopentaneacetic acid, 2-(hydroxymethyl)-3-methyl-, «delta»-lactone. 2-Oxacholest-3-one. dl-Camphoric anhydride. 1,2,3,6-tetrahydromethyl-3,6-methanophthalic anhydride. 1-.alpha.,2-.alpha.,5-.alpha.-Nepetonic acid, methyl ester. 2-Ethoxycarbonyladamantane. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester. Bicyclo[2.2.1]heptane-2-carboxylic acid, methyl ester. endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 7,7-dimethyl, methyl ester. 22R-epi-28-Norhopanoic acid methyl ester. 22S-epi-28-Norhopanoic acid methyl ester. 22R-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester. 22S-epi-17«beta»(H),21«beta»(H)-Hopanoic acid methyl ester.

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