Found 1 result

Search term: BARQSELGFOXKGC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,4S,9S)-1,4,9,15-Tetramethyl-5,17-dioxatetracyclo[7.6.2.0~4,6~.0~12,16~]heptadeca-10,12(16)-dien-13-one | C19H26O3

(1R,4S,9S)-1,4,9,15-Tetramethyl-5,17-dioxatetracyclo[7.6.2.04,6.012,16]heptadeca-10,12(16)-dien-13-one

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID30651195

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1R,4S,9S)-1,4,9,15-Tetramethyl-5,17-dioxatetracyclo[7.6.2.04,6.012,16]heptadeca-10,12(16)-dien-13-on [German] [ACD/IUPAC Name]
(1R,4S,9S)-1,4,9,15-Tetramethyl-5,17-dioxatetracyclo[7.6.2.04,6.012,16]heptadeca-10,12(16)-dien-13-one [ACD/IUPAC Name]
(1R,4S,9S)-1,4,9,15-Tétraméthyl-5,17-dioxatétracyclo[7.6.2.04,6.012,16]heptadéca-10,12(16)-dién-13-one [French] [ACD/IUPAC Name]
4,6-Etheno-7H-oxireno[e][1]benzoxecin-7-one, 1a,2,3,4,8,9,9a,10,11,11a-decahydro-4,9,9a,11a-tetramethyl-, (4S,9aR,11aS)- [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: 426.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 203.5±15.1 °C
Index of Refraction: 1.555
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 273.13
ACD/KOC (pH 5.5): 1930.00
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 273.13
ACD/KOC (pH 7.4): 1930.00
Polar Surface Area: 39 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 264.2±5.0 cm3

Click to predict properties on the Chemicalize site


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