ChemSpider 2D Image | (1S,4E,6R,7R,10E,14S)-7-(2-Hydroxy-2-propanyl)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol | C20H34O3

(1S,4E,6R,7R,10E,14S)-7-(2-Hydroxy-2-propanyl)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID35517123

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4E,6R,7R,10E,14S)-7-(2-Hydroxy-2-propanyl)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol [German] [ACD/IUPAC Name]
(1S,4E,6R,7R,10E,14S)-7-(2-Hydroxy-2-propanyl)-4,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol [ACD/IUPAC Name]
(1S,4E,6R,7R,10E,14S)-7-(2-Hydroxy-2-propanyl)-4,10,14-triméthyl-15-oxabicyclo[12.1.0]pentadéca-4,10-dién-6-ol [French] [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadeca-4,10-diene-7-methanol, 6-hydroxy-α,α,4,10,14-pentamethyl-, (1S,4E,6R,7R,10E,14S)- [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: 440.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±6.0 kJ/mol
Flash Point: 220.0±28.7 °C
Index of Refraction: 1.501
Molar Refractivity: 94.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 929.50
ACD/KOC (pH 5.5): 4637.40
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 929.50
ACD/KOC (pH 7.4): 4637.40
Polar Surface Area: 53 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 35.6±3.0 dyne/cm
Molar Volume: 319.7±3.0 cm3

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