ChemSpider 2D Image | (1R,3aR,7aR)-1-[(2R,3Z,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-one | C19H32O2

(1R,3aR,7aR)-1-[(2R,3Z,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-one

  • Molecular FormulaC19H32O2
  • Average mass292.456 Da
  • Monoisotopic mass292.240234 Da
  • ChemSpider ID107563390

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3aR,7aR)-1-[(2R,3Z,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-on [German] [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2R,3Z,5S)-6-Hydroxy-5,6-dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-one [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2R,3Z,5S)-6-Hydroxy-5,6-diméthyl-3-heptén-2-yl]-7a-méthyloctahydro-4H-indén-4-one [French] [ACD/IUPAC Name]
4H-Inden-4-one, octahydro-1-[(1R,2Z,4S)-5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-, (1R,3aR,7aR)- [ACD/Index Name]
(1R,3AR,7aR)-1-((2R,5S,Z)-6-hydroxy-5,6-dimethylhept-3-en-2-yl)-7a-methyloctahydro-4H-inden-4-one
1186587-53-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 400.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 171.0±13.8 °C
Index of Refraction: 1.506
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 338.67
ACD/KOC (pH 5.5): 2251.21
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 338.67
ACD/KOC (pH 7.4): 2251.21
Polar Surface Area: 37 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 294.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement