ChemSpider 2D Image | (-)-mangelonoid A | C20H32O2

(-)-mangelonoid A

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID65491538

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(-)-mangelonoid A
(1Z,5E,9E,11R,12S,15R)-12-Isopropyl-5,9-dimethylbicyclo[9.3.1]pentadeca-1,5,9-trien-12,15-diol [German] [ACD/IUPAC Name]
(1Z,5E,9E,11R,12S,15R)-12-Isopropyl-5,9-dimethylbicyclo[9.3.1]pentadeca-1,5,9-triene-12,15-diol [ACD/IUPAC Name]
(1Z,5E,9E,11R,12S,15R)-12-Isopropyl-5,9-diméthylbicyclo[9.3.1]pentadéca-1,5,9-triène-12,15-diol [French] [ACD/IUPAC Name]
Bicyclo[9.3.1]pentadeca-1,5,9-triene-12,15-diol, 5,9-dimethyl-12-(1-methylethyl)-, (1Z,5E,9E,11R,12S,15R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 455.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±6.0 kJ/mol
Flash Point: 202.9±23.3 °C
Index of Refraction: 1.537
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5049.53
ACD/KOC (pH 5.5): 15573.26
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5049.52
ACD/KOC (pH 7.4): 15573.26
Polar Surface Area: 40 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 296.6±5.0 cm3

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