ChemSpider 2D Image | (1R,4E,8E,12S,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one | C20H30O3

(1R,4E,8E,12S,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID23329192
  • 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

(1R,4E,8E,12S,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylen-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-on [German] [ACD/IUPAC Name]
(1R,4E,8E,12S,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one [ACD/IUPAC Name]
(1R,4E,8E,12S,13R)-12-Hydroxy-4,8,12-triméthyl-16-méthylène-14-oxabicyclo[11.3.1]heptadéca-4,8-dién-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one, 12-hydroxy-4,8,12-trimethyl-16-methylene-, (1R,4E,8E,12S,13R)- [ACD/Index Name]
(1R,4E,8E,12S,13R)-12-hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one
14-deoxycrassin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 480.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 192.2±21.5 °C
Index of Refraction: 1.524
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3298.01
ACD/KOC (pH 5.5): 11480.45
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3298.01
ACD/KOC (pH 7.4): 11480.45
Polar Surface Area: 47 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 303.6±5.0 cm3

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