ChemSpider 2D Image | (1R,3aR,7aR)-1-[(2R,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-one | C19H32O

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

  • Molecular FormulaC19H32O
  • Average mass276.457 Da
  • Monoisotopic mass276.245331 Da
  • ChemSpider ID57579482

  • 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,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-on [German] [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2R,5R)-5,6-Dimethyl-3-hepten-2-yl]-7a-methyloctahydro-4H-inden-4-one [ACD/IUPAC Name]
(1R,3aR,7aR)-1-[(2R,5R)-5,6-Diméthyl-3-heptén-2-yl]-7a-méthyloctahydro-4H-indén-4-one [French] [ACD/IUPAC Name]
4H-Inden-4-one, octahydro-7a-methyl-1-[(1R,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (1R,3aR,7aR)- [ACD/Index Name]
(1R,3aR,7aR)-Octahydro-7a-Methyl-1-[(1R,2E,4R)-1,4,5-triMethyl-2-hexen-1-yl]-4H-inden-4-one
55812-80-1 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 356.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.1±3.0 kJ/mol
Flash Point: 147.4±14.2 °C
Index of Refraction: 1.490
Molar Refractivity: 85.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 6749.31
ACD/KOC (pH 5.5): 19167.95
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 6749.31
ACD/KOC (pH 7.4): 19167.95
Polar Surface Area: 17 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 297.5±3.0 cm3

Click to predict properties on the Chemicalize site


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