ChemSpider 2D Image | Methyl (5R)-5-[(1R,3aR,7aR)-7a-methyl-4-oxooctahydro-1H-inden-1-yl]hexanoate | C17H28O3

Methyl (5R)-5-[(1R,3aR,7aR)-7a-methyl-4-oxooctahydro-1H-inden-1-yl]hexanoate

  • Molecular FormulaC17H28O3
  • Average mass280.402 Da
  • Monoisotopic mass280.203857 Da
  • ChemSpider ID31047028

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(5R)-5-[(1R,3aR,7aR)-7a-Méthyl-4-oxooctahydro-1H-indén-1-yl]hexanoate de méthyle [French] [ACD/IUPAC Name]
135359-41-0 [RN]
1H-Indene-1-pentanoic acid, octahydro-δ,7a-dimethyl-4-oxo-, methyl ester, (δR,1R,3aR,7aR)- [ACD/Index Name]
Methyl (5R)-5-[(1R,3aR,7aR)-7a-methyl-4-oxooctahydro-1H-inden-1-yl]hexanoate [ACD/IUPAC Name]
Methyl-(5R)-5-[(1R,3aR,7aR)-7a-methyl-4-oxooctahydro-1H-inden-1-yl]hexanoat [German] [ACD/IUPAC Name]
[1R-[1&α;(R*),3a&β;,7a&α;]]-Octahydro-&δ;,7a-dimethyl-4-oxo-1H-indene-1-pentanoic Acid Methyl Ester
[1R-[1a(R*),3ab,7aa]]-Octahydro-?,7a-dimethyl-4-oxo-1H-indene-1-pentanoic Acid Methyl Ester
methyl (5R)-5-[(1R,3aR,7aR)-7a-methyl-4-oxo-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hexanoate
Methyl 5-[(1R,3aR,7aR)-7a-methyl-4-oxooctahydro-1H-inden-1-yl]hexanoate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 364.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 156.0±20.4 °C
Index of Refraction: 1.485
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 244.33
ACD/KOC (pH 5.5): 1782.04
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 244.33
ACD/KOC (pH 7.4): 1782.04
Polar Surface Area: 43 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 273.6±3.0 cm3

Click to predict properties on the Chemicalize site


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