ChemSpider 2D Image | (1S,3S,4E,6Z,10E,14R)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol | C20H32O2

(1S,3S,4E,6Z,10E,14R)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID23314572

  • 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

(1S,3S,4E,6Z,10E,14R)-1,7,11-trimethyl-4-(propan-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol
(1S,3S,4E,6Z,10E,14R)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol [German] [ACD/IUPAC Name]
(1S,3S,4E,6Z,10E,14R)-4-Isopropyl-1,7,11-trimethyl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol [ACD/IUPAC Name]
(1S,3S,4E,6Z,10E,14R)-4-Isopropyl-1,7,11-triméthyl-15-oxabicyclo[12.1.0]pentadéca-4,6,10-trién-3-ol [French] [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol, 1,7,11-trimethyl-4-(1-methylethyl)-, (1S,3S,4E,6Z,10E,14R)- [ACD/Index Name]
(+)-11,12-epoxysarcophytol A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL440401/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 426.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±6.0 kJ/mol
Flash Point: 174.0±23.0 °C
Index of Refraction: 1.497
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.35
ACD/BCF (pH 5.5): 6880.55
ACD/KOC (pH 5.5): 19433.98
ACD/LogD (pH 7.4): 5.35
ACD/BCF (pH 7.4): 6880.55
ACD/KOC (pH 7.4): 19433.98
Polar Surface Area: 33 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 315.8±3.0 cm3

Click to predict properties on the Chemicalize site


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