ChemSpider 2D Image | (1R,3aR,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl 2-naphthoate | C29H40O2

(1R,3aR,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl 2-naphthoate

  • Molecular FormulaC29H40O2
  • Average mass420.627 Da
  • Monoisotopic mass420.302826 Da
  • ChemSpider ID34255556

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3aR,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl 2-naphthoate [ACD/IUPAC Name]
(1R,3aR,4S,7aR)-7a-Methyl-1-[(2R)-6-methyl-2-heptanyl]octahydro-1H-inden-4-yl-2-naphthoat [German] [ACD/IUPAC Name]
2-Naphthalenecarboxylic acid, (1R,3aR,4S,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-1H-inden-4-yl ester [ACD/Index Name]
2-Naphtoate de (1R,3aR,4S,7aR)-7a-méthyl-1-[(2R)-6-méthyl-2-heptanyl]octahydro-1H-indén-4-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 520.3±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 175.1±6.2 °C
Index of Refraction: 1.560
Molar Refractivity: 130.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 10.79
ACD/LogD (pH 5.5): 9.10
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2126275.50
ACD/LogD (pH 7.4): 9.10
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2126275.50
Polar Surface Area: 26 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement