ChemSpider 2D Image | (1R,7aR)-1-[(2R,3E,5S)-6-(Methoxymethoxy)-5,6-dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-one | C21H36O3

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

  • Molecular FormulaC21H36O3
  • Average mass336.509 Da
  • Monoisotopic mass336.266449 Da
  • ChemSpider ID25084837

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,7aR)-1-[(2R,3E,5S)-6-(Methoxymethoxy)-5,6-dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-on [German] [ACD/IUPAC Name]
(1R,7aR)-1-[(2R,3E,5S)-6-(Methoxymethoxy)-5,6-dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-one [ACD/IUPAC Name]
(1R,7aR)-1-[(2R,3E,5S)-6-(Méthoxyméthoxy)-5,6-diméthyl-3-heptén-2-yl]-7a-méthyloctahydro-4H-indén-4-one [French] [ACD/IUPAC Name]
4H-Inden-4-one, octahydro-1-[(1R,2E,4S)-5-(methoxymethoxy)-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-, (1R,7aR)- [ACD/Index Name]
(1R,7aR)-1-[(2R,3E,5S)-6-(methoxymethoxy)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-octahydro-1H-inden-4-one
1-(5-Methoxymethoxy-1,4,5-trimethyl-hex-2-enyl)-7a-methyl-octahydro-inden-4-one
1314402-82-8 [RN]
1R-(5-Methoxymethoxy-1R,4S,5-trimethyl-hex-2-enyl)-7R-methyl-octahydro-inden-4-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 406.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 191.3±9.6 °C
Index of Refraction: 1.488
Molar Refractivity: 98.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 851.90
ACD/KOC (pH 5.5): 4356.86
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 851.90
ACD/KOC (pH 7.4): 4356.86
Polar Surface Area: 36 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

Click to predict properties on the Chemicalize site


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