ChemSpider 2D Image | siphonodictyal B | C22H30O4

siphonodictyal B

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID40256545

  • 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

2,3,6-Trihydroxy-5-{(E)-[(2R,4aS,8aS)-2,5,5,8a-tétraméthyloctahydro-1(2H)-naphtalénylidène]méthyl}benzaldéhyde [French] [ACD/IUPAC Name]
2,3,6-Trihydroxy-5-{(E)-[(2R,4aS,8aS)-2,5,5,8a-tetramethyloctahydro-1(2H)-naphthalenylidene]methyl}benzaldehyde [ACD/IUPAC Name]
2,3,6-Trihydroxy-5-{(E)-[(2R,4aS,8aS)-2,5,5,8a-tetramethyloctahydro-1(2H)-naphthalinyliden]methyl}benzaldehyd [German] [ACD/IUPAC Name]
Benzaldehyde, 2,3,6-trihydroxy-5-[(E)-[(2R,4aS,8aS)-octahydro-2,5,5,8a-tetramethyl-1(2H)-naphthalenylidene]methyl]- [ACD/Index Name]
siphonodictyal B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 256.1±25.2 °C
Index of Refraction: 1.607
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 186274.34
ACD/KOC (pH 5.5): 205777.72
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 137637.64
ACD/KOC (pH 7.4): 152048.63
Polar Surface Area: 78 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 306.3±3.0 cm3

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