ChemSpider 2D Image | Methyl (1R,2S,3S,6R,7S,10R,12R)-10-(acetoxymethyl)-6-isopropyl-16-methyl-13,14-dioxatetracyclo[10.2.2.0~2,10~.0~3,7~]hexadec-15-ene-7-carboxylate | C23H34O6

Methyl (1R,2S,3S,6R,7S,10R,12R)-10-(acetoxymethyl)-6-isopropyl-16-methyl-13,14-dioxatetracyclo[10.2.2.02,10.03,7]hexadec-15-ene-7-carboxylate

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID24740183

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,2S,3S,6R,7S,10R,12R)-10-(Acétoxyméthyl)-6-isopropyl-16-méthyl-13,14-dioxatétracyclo[10.2.2.02,10.03,7]hexadéc-15-ène-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,4-Ethenoindeno[4,5-d][1,2]dioxepin-7a(1H)-carboxylic acid, 5a-[(acetyloxy)methyl]-4,5,5a,6,7,8,9,10,10a,10b-decahydro-11-methyl-8-(1-methylethyl)-, methyl ester, (1R,4R,5aR,7aS,8R,10aS,10bS)- [ACD/Index Name]
Methyl (1R,2S,3S,6R,7S,10R,12R)-10-(acetoxymethyl)-6-isopropyl-16-methyl-13,14-dioxatetracyclo[10.2.2.02,10.03,7]hexadec-15-ene-7-carboxylate [ACD/IUPAC Name]
Methyl-(1R,2S,3S,6R,7S,10R,12R)-10-(acetoxymethyl)-6-isopropyl-16-methyl-13,14-dioxatetracyclo[10.2.2.02,10.03,7]hexadec-15-en-7-carboxylat [German] [ACD/IUPAC 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: 449.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 191.2±28.8 °C
Index of Refraction: 1.509
Molar Refractivity: 106.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 2115.80
ACD/KOC (pH 5.5): 8355.47
ACD/LogD (pH 7.4): 4.68
ACD/BCF (pH 7.4): 2115.80
ACD/KOC (pH 7.4): 8355.47
Polar Surface Area: 71 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 357.1±3.0 cm3

Click to predict properties on the Chemicalize site


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