ChemSpider 2D Image | (1R,4S,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate | C26H38O2

(1R,4S,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate

  • Molecular FormulaC26H38O2
  • Average mass382.579 Da
  • Monoisotopic mass382.287170 Da
  • ChemSpider ID23954915

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1R,4S,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate [ACD/IUPAC Name]
(1R,4S,7aR)-1-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-1H-inden-4-yl-benzoat [German] [ACD/IUPAC Name]
(1R,4S,7aR)-1-[(2R,3E,5R)-5,6-Dimethylhept-3-en-2-yl]-7a-methyloctahydro-1H-inden-4-yl benzoate
1H-Inden-4-ol, octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, benzoate, (1R,4S,7aR)- [ACD/Index Name]
Benzoate de (1R,4S,7aR)-1-[(2R,3E,5R)-5,6-diméthyl-3-heptén-2-yl]-7a-méthyloctahydro-1H-indén-4-yle [French] [ACD/IUPAC Name]
(1R,4S,7aR)-1-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-yl benzoate
(S)-Benzoic acid 7R-methyl-1R-(1R,4R,5-trimethyl-hex-2-enyl)-octahydro-inden-4-yl ester
[(1R,4S,7aR)-7a-Methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,3a,4,5,6,7-octahydroinden-4-yl] benzoate
68702-86-3 [RN]
MFCD11100864

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 457.6±14.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.8±3.0 kJ/mol
    Flash Point: 208.0±6.3 °C
    Index of Refraction: 1.529
    Molar Refractivity: 116.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 9.39
    ACD/LogD (pH 5.5): 7.70
    ACD/BCF (pH 5.5): 422563.22
    ACD/KOC (pH 5.5): 370327.03
    ACD/LogD (pH 7.4): 7.70
    ACD/BCF (pH 7.4): 422563.22
    ACD/KOC (pH 7.4): 370327.03
    Polar Surface Area: 26 Å2
    Polarizability: 46.3±0.5 10-24cm3
    Surface Tension: 38.2±5.0 dyne/cm
    Molar Volume: 379.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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