ChemSpider 2D Image | (4R,4aR,6R,7S,8Z,10R,11S,12aR)-4-Isopropyl-11-(methoxymethoxy)-7,10-bis(4-methoxyphenoxy)-1-methyl-3,4,4a,5,6,7,10,11,12,12a-decahydrobenzo[10]annulen-6-yl pivalate | C39H54O8

(4R,4aR,6R,7S,8Z,10R,11S,12aR)-4-Isopropyl-11-(methoxymethoxy)-7,10-bis(4-methoxyphenoxy)-1-methyl-3,4,4a,5,6,7,10,11,12,12a-decahydrobenzo[10]annulen-6-yl pivalate

  • Molecular FormulaC39H54O8
  • Average mass650.841 Da
  • Monoisotopic mass650.381897 Da
  • ChemSpider ID9483236

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R,4aR,6R,7S,8Z,10R,11S,12aR)-4-Isopropyl-11-(methoxymethoxy)-7,10-bis(4-methoxyphenoxy)-1-methyl-3,4,4a,5,6,7,10,11,12,12a-decahydrobenzo[10]annulen-6-yl pivalate [ACD/IUPAC Name]
(4R,4aR,6R,7S,8Z,10R,11S,12aR)-4-Isopropyl-11-(methoxymethoxy)-7,10-bis(4-methoxyphenoxy)-1-methyl-3,4,4a,5,6,7,10,11,12,12a-decahydrobenzo[10]annulen-6-ylpivalat [German] [ACD/IUPAC Name]
Pivalate de (4R,4aR,6R,7S,8Z,10R,11S,12aR)-4-isopropyl-11-(méthoxyméthoxy)-7,10-bis(4-méthoxyphénoxy)-1-méthyl-3,4,4a,5,6,7,10,11,12,12a-décahydrobenzo[10]annulén-6-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, (4R,4aR,6R,7S,8Z,10R,11S,12aR)-3,4,4a,5,6,7,10,11,12,12a-decahydro-11-(methoxymethoxy)-7,10-bis(4-methoxyphenoxy)-1-methyl-4-(1-methylethyl)-6-benzocyclodecenyl ester [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: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 279.2±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 184.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.49
ACD/LogD (pH 5.5): 8.78
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1417237.13
ACD/LogD (pH 7.4): 8.78
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1417237.13
Polar Surface Area: 82 Å2
Polarizability: 73.0±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 579.4±5.0 cm3

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