ChemSpider 2D Image | (1aS,3aR,8bR,8cR)-8-Hydroxy-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]indene-7-carboxylic acid | C22H30O4

(1aS,3aR,8bR,8cR)-8-Hydroxy-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]indene-7-carboxylic acid

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID58828784
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1aS,3aR,8bR,8cR)-8-Hydroxy-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]inden-7-carbonsäure [German] [ACD/IUPAC Name]
(1aS,3aR,8bR,8cR)-8-Hydroxy-1,1,3a-trimethyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]indene-7-carboxylic acid [ACD/IUPAC Name]
1H-4-Oxabenzo[f]cyclobut[cd]indene-7-carboxylic acid, 1a,2,3,3a,8b,8c-hexahydro-8-hydroxy-1,1,3a-trimethyl-6-pentyl-, (1aS,3aR,8bR,8cR)- [ACD/Index Name]
Acide (1aS,3aR,8bR,8cR)-8-hydroxy-1,1,3a-triméthyl-6-pentyl-1a,2,3,3a,8b,8c-hexahydro-1H-4-oxabenzo[f]cyclobuta[cd]indène-7-carboxylique [French] [ACD/IUPAC Name]
40524-99-0 [RN]
Cannabicyclolic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 429.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 140.1±22.2 °C
Index of Refraction: 1.571
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 579.08
ACD/KOC (pH 5.5): 539.70
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 245.18
ACD/KOC (pH 7.4): 228.51
Polar Surface Area: 67 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 306.8±3.0 cm3

Click to predict properties on the Chemicalize site






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