ChemSpider 2D Image | (1R,3S,8Z,12R,13R)-12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo[11.3.2.0~3,5~]octadec-8-en-15-one | C20H30O4

(1R,3S,8Z,12R,13R)-12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID58818327

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,3S,8Z,12R,13R)-12-Hydroxy-5,9,13-trimethyl-16-methylen-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-on [German] [ACD/IUPAC Name]
(1R,3S,8Z,12R,13R)-12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one [ACD/IUPAC Name]
(1R,3S,8Z,12R,13R)-12-Hydroxy-5,9,13-triméthyl-16-méthylène-4,14-dioxatricyclo[11.3.2.03,5]octadéc-8-én-15-one [French] [ACD/IUPAC Name]
4,14-Dioxatricyclo[11.3.2.03,5]octadec-8-en-15-one, 12-hydroxy-5,9,13-trimethyl-16-methylene-, (1R,3S,8Z,12R,13R)- [ACD/Index Name]
88643-48-5 [RN]
SINULARIOLIDE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 490.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 169.3±22.2 °C
Index of Refraction: 1.534
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 355.52
ACD/KOC (pH 5.5): 2330.83
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.52
ACD/KOC (pH 7.4): 2330.83
Polar Surface Area: 59 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 298.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement