ChemSpider 2D Image | (3S,6E,7S)-6-Ethylidene-1,9,12,12-tetramethyl-13-vinyl-4,8-dioxatetracyclo[8.3.1.0~2,9~.0~3,7~]tetradecane-5,11-dione | C20H26O4

(3S,6E,7S)-6-Ethylidene-1,9,12,12-tetramethyl-13-vinyl-4,8-dioxatetracyclo[8.3.1.02,9.03,7]tetradecane-5,11-dione

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID75590082

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(3S,6E,7S)-6-Ethyliden-1,9,12,12-tetramethyl-13-vinyl-4,8-dioxatetracyclo[8.3.1.02,9.03,7]tetradecan-5,11-dion [German] [ACD/IUPAC Name]
(3S,6E,7S)-6-Ethylidene-1,9,12,12-tetramethyl-13-vinyl-4,8-dioxatetracyclo[8.3.1.02,9.03,7]tetradecane-5,11-dione [ACD/IUPAC Name]
(3S,6E,7S)-6-Éthylidène-1,9,12,12-tétraméthyl-13-vinyl-4,8-dioxatétracyclo[8.3.1.02,9.03,7]tétradécane-5,11-dione [French] [ACD/IUPAC Name]
5,9-Methano-2H-cyclohepta[b]furo[2,3-d]furan-2,6(3H)-dione, 8-ethenyl-3-ethylideneoctahydro-4a,7,7,9-tetramethyl-, (3E,3aS,9bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 464.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 203.2±28.8 °C
Index of Refraction: 1.600
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.55
ACD/KOC (pH 5.5): 1283.92
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.55
ACD/KOC (pH 7.4): 1283.92
Polar Surface Area: 53 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site


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