ChemSpider 2D Image | (1S,2R,3R,4S,6E,10S)-3-Isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate | C19H30O5

(1S,2R,3R,4S,6E,10S)-3-Isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate

  • Molecular FormulaC19H30O5
  • Average mass338.439 Da
  • Monoisotopic mass338.209320 Da
  • ChemSpider ID28488698

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2R,3R,4S,6E,10S)-3-Isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-en-2,4-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,2R,3R,4S,6E,10S)-3-Isopropyl-6,10-dimethyl-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate [ACD/IUPAC Name]
11-Oxabicyclo[8.1.0]undec-6-ene-2,4-diol, 6,10-dimethyl-3-(1-methylethyl)-, diacetate, (1S,2R,3R,4S,6E,10S)- [ACD/Index Name]
20071-58-3 [RN]
Diacétate de (1S,2R,3R,4S,6E,10S)-3-isopropyl-6,10-diméthyl-11-oxabicyclo[8.1.0]undéc-6-ène-2,4-diyle [French] [ACD/IUPAC Name]
(1S,2R,3R,4S,6E,10S)-6,10-Dimethyl-3-(propan-2-yl)-11-oxabicyclo[8.1.0]undec-6-ene-2,4-diyl diacetate
Shiromodiol diacetate

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

130695-59-9; 20071-58-3 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 398.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 170.1±27.9 °C
Index of Refraction: 1.494
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 790.71
ACD/KOC (pH 5.5): 4130.50
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 790.71
ACD/KOC (pH 7.4): 4130.50
Polar Surface Area: 65 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 312.6±5.0 cm3

Click to predict properties on the Chemicalize site


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