ChemSpider 2D Image | (5R,6S,7S)-5-Isobutoxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene | C28H40O7

(5R,6S,7S)-5-Isobutoxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID30825793

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6S,7S)-5-Isobutoxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulen [German] [ACD/IUPAC Name]
(5R,6S,7S)-5-Isobutoxy-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-tetrahydrodibenzo[a,c][8]annulene [ACD/IUPAC Name]
(5R,6S,7S)-5-Isobutoxy-1,2,3,10,11,12-hexaméthoxy-6,7-diméthyl-5,6,7,8-tétrahydrodibenzo[a,c][8]annulène [French] [ACD/IUPAC Name]
Dibenzo[a,c]cyclooctene, 5,6,7,8-tetrahydro-1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5-(2-methylpropoxy)-, (5R,6S,7S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 580.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 221.4±30.0 °C
Index of Refraction: 1.539
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4042.04
ACD/KOC (pH 5.5): 13280.00
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4042.04
ACD/KOC (pH 7.4): 13280.00
Polar Surface Area: 65 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 432.8±5.0 cm3

Click to predict properties on the Chemicalize site


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