ChemSpider 2D Image | (2S)-2-[(1R,3aR,7aR)-3a,7a-Dimethyl-4-oxooctahydro-1H-inden-1-yl]propyl acetate | C16H26O3

(2S)-2-[(1R,3aR,7aR)-3a,7a-Dimethyl-4-oxooctahydro-1H-inden-1-yl]propyl acetate

  • Molecular FormulaC16H26O3
  • Average mass266.376 Da
  • Monoisotopic mass266.188202 Da
  • ChemSpider ID29211872

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S)-2-[(1R,3aR,7aR)-3a,7a-Dimethyl-4-oxooctahydro-1H-inden-1-yl]propyl acetate [ACD/IUPAC Name]
(2S)-2-[(1R,3aR,7aR)-3a,7a-Dimethyl-4-oxooctahydro-1H-inden-1-yl]propyl-acetat [German] [ACD/IUPAC Name]
4H-Inden-4-one, 1-[(1S)-2-(acetyloxy)-1-methylethyl]octahydro-3a,7a-dimethyl-, (1R,3aR,7aR)- [ACD/Index Name]
Acétate de (2S)-2-[(1R,3aR,7aR)-3a,7a-diméthyl-4-oxooctahydro-1H-indén-1-yl]propyle [French] [ACD/IUPAC Name]
(s)-2-((1r,3ar,7ar)-3a,7a-dimethyl-4-oxooctahydro-1h-inden-1-yl)propyl acetate
(S)-2-((1R,3aR,7aR)-7a-methyl-4-oxooctahydro-1H-inden-1-yl)propyl acetate
[1R-[1α(S*),3aβ,7aα]]-1-[2-(Acetyloxy)-1-methylethyl]octahydro-7a-methyl-4H-inden-4-one
141411-00-9 [RN]
CS-14143

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

Density: 1.0±0.1 g/cm3
Boiling Point: 336.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 143.3±20.4 °C
Index of Refraction: 1.490
Molar Refractivity: 73.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 123.50
ACD/KOC (pH 5.5): 1093.52
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.50
ACD/KOC (pH 7.4): 1093.52
Polar Surface Area: 43 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 37.3±3.0 dyne/cm
Molar Volume: 255.3±3.0 cm3

Click to predict properties on the Chemicalize site


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