ChemSpider 2D Image | (1S,2R,6S,7S)-Tricyclo[5.2.1.0~2,6~]dec-3-en-8-yl propionate | C13H18O2

(1S,2R,6S,7S)-Tricyclo[5.2.1.02,6]dec-3-en-8-yl propionate

  • Molecular FormulaC13H18O2
  • Average mass206.281 Da
  • Monoisotopic mass206.130676 Da
  • ChemSpider ID22886575

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,2R,6S,7S)-Tricyclo[5.2.1.02,6]dec-3-en-8-yl propionate [ACD/IUPAC Name]
(1S,2R,6S,7S)-Tricyclo[5.2.1.02,6]dec-3-en-8-ylpropionat [German] [ACD/IUPAC Name]
4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate, (3aR,4S,7S,7aS)- [ACD/Index Name]
Propionate de (1S,2R,6S,7S)-tricyclo[5.2.1.02,6]déc-3-én-8-yle [French] [ACD/IUPAC Name]
(3aR,4S,7S,7aS)-3a,4,5,6,7,7a-hexahydro-1H-4,7-methanoinden-6-yl propionate
910860-86-5 [RN]
Propionic acid (3aS,4S,7S,7aR)-(3a,4,5,6,7,7a-hexahydro-3H-4,7-methano-inden-5-yl) ester

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 276.2±39.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 112.9±14.6 °C
    Index of Refraction: 1.531
    Molar Refractivity: 57.8±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.23
    ACD/LogD (pH 5.5): 3.31
    ACD/BCF (pH 5.5): 191.38
    ACD/KOC (pH 5.5): 1496.22
    ACD/LogD (pH 7.4): 3.31
    ACD/BCF (pH 7.4): 191.38
    ACD/KOC (pH 7.4): 1496.22
    Polar Surface Area: 26 Å2
    Polarizability: 22.9±0.5 10-24cm3
    Surface Tension: 38.6±5.0 dyne/cm
    Molar Volume: 186.7±5.0 cm3

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