ChemSpider 2D Image | (3E)-3-{2-[(1S,2R,4aR,8aR)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]ethylidene}dihydro-2(3H)-furanone | C20H30O3

(3E)-3-{2-[(1S,2R,4aR,8aR)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]ethylidene}dihydro-2(3H)-furanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID82964260

  • 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

(3E)-3-{2-[(1S,2R,4aR,8aR)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]ethyliden}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3E)-3-{2-[(1S,2R,4aR,8aR)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]ethylidene}dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3E)-3-{2-[(1S,2R,4aR,8aR)-5,5,8a-Triméthyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]éthylidène}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3-[2-[(1S,2R,4aR,8aR)-octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxiran]-1-yl]ethylidene]-, (3E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 459.6±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 197.3±18.6 °C
Index of Refraction: 1.537
Molar Refractivity: 89.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 743.08
ACD/KOC (pH 5.5): 3950.85
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 743.08
ACD/KOC (pH 7.4): 3950.85
Polar Surface Area: 39 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 287.2±5.0 cm3

Click to predict properties on the Chemicalize site


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