ChemSpider 2D Image | (2E)-2-{3-[(1R,2S,4aS,8aS)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]propylidene}succinaldehyde | C21H32O3

(2E)-2-{3-[(1R,2S,4aS,8aS)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]propylidene}succinaldehyde

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID24662882

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E)-2-{3-[(1R,2S,4aS,8aS)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]propyliden}succinaldehyd [German] [ACD/IUPAC Name]
(2E)-2-{3-[(1R,2S,4aS,8aS)-5,5,8a-Trimethyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]propylidene}succinaldehyde [ACD/IUPAC Name]
(2E)-2-{3-[(1R,2S,4aS,8aS)-5,5,8a-Triméthyloctahydro-1H-spiro[naphthalene-2,2'-oxiran]-1-yl]propylidène}succinaldéhyde [French] [ACD/IUPAC Name]
Butanedial, 2-[3-[(1R,2S,4aS,8aS)-octahydro-5,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxiran]-1-yl]propylidene]-, (2E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.9±25.0 °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: 198.2±23.2 °C
Index of Refraction: 1.520
Molar Refractivity: 95.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 561.04
ACD/KOC (pH 5.5): 3230.97
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 561.04
ACD/KOC (pH 7.4): 3230.97
Polar Surface Area: 47 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 313.3±5.0 cm3

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