ChemSpider 2D Image | (3aR,9aS,9bS)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one | C16H26O2

(3aR,9aS,9bS)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one

  • Molecular FormulaC16H26O2
  • Average mass250.376 Da
  • Monoisotopic mass250.193283 Da
  • ChemSpider ID30439587

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aR,9aS,9bS)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-on [German] [ACD/IUPAC Name]
(3aR,9aS,9bS)-3a,6,6,9a-Tetramethyldecahydronaphtho[2,1-b]furan-2(1H)-one [ACD/IUPAC Name]
(3aR,9aS,9bS)-3a,6,6,9a-Tétraméthyldécahydronaphto[2,1-b]furan-2(1H)-one [French] [ACD/IUPAC Name]
Naphtho[2,1-b]furan-2(1H)-one, decahydro-3a,6,6,9a-tetramethyl-, (3aR,9aS,9bS)- [ACD/Index Name]
(3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
1234783-88-0 [RN]
IMKJGXCIJJXALX-AHBJDQSVSA-N

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 321.4±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.3±3.0 kJ/mol
    Flash Point: 132.4±16.4 °C
    Index of Refraction: 1.490
    Molar Refractivity: 71.7±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 4.12
    ACD/BCF (pH 5.5): 792.08
    ACD/KOC (pH 5.5): 4135.62
    ACD/LogD (pH 7.4): 4.12
    ACD/BCF (pH 7.4): 792.08
    ACD/KOC (pH 7.4): 4135.62
    Polar Surface Area: 26 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 32.6±3.0 dyne/cm
    Molar Volume: 248.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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