Found 1 result

Search term: 34981941 (Found by CSID)
ChemSpider 2D Image | (1S,10R,11S)-11-Methyl-6-(3-methyl-2-buten-1-yl)-12,13-dioxatricyclo[8.2.1.0~2,7~]trideca-2,4,6,8-tetraen-3-ol | C17H20O3

(1S,10R,11S)-11-Methyl-6-(3-methyl-2-buten-1-yl)-12,13-dioxatricyclo[8.2.1.02,7]trideca-2,4,6,8-tetraen-3-ol

  • Molecular FormulaC17H20O3
  • Average mass272.339 Da
  • Monoisotopic mass272.141235 Da
  • ChemSpider ID34981941

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,10R,11S)-11-Methyl-6-(3-methyl-2-buten-1-yl)-12,13-dioxatricyclo[8.2.1.02,7]trideca-2,4,6,8-tetraen-3-ol [German] [ACD/IUPAC Name]
(1S,10R,11S)-11-Methyl-6-(3-methyl-2-buten-1-yl)-12,13-dioxatricyclo[8.2.1.02,7]trideca-2,4,6,8-tetraen-3-ol [ACD/IUPAC Name]
(1S,10R,11S)-11-Méthyl-6-(3-méthyl-2-butén-1-yl)-12,13-dioxatricyclo[8.2.1.02,7]tridéca-2,4,6,8-tétraén-3-ol [French] [ACD/IUPAC Name]
1,4-Epoxy-1H-2-benzoxocin-10-ol, 3,4-dihydro-3-methyl-7-(3-methyl-2-buten-1-yl)-, (1S,3S,4R)- [ACD/Index Name]
vaccinol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 398.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 194.8±27.9 °C
Index of Refraction: 1.567
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.43
ACD/KOC (pH 5.5): 1756.33
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.05
ACD/KOC (pH 7.4): 1731.50
Polar Surface Area: 39 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 240.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement