ChemSpider 2D Image | (1S,4R,5R,6S)-3-(Benzyloxy)-4-isopropyl-5-methyl-1-pentyl-6-(2-phenylethyl)bicyclo[3.1.0]hex-2-ene | C30H40O

(1S,4R,5R,6S)-3-(Benzyloxy)-4-isopropyl-5-methyl-1-pentyl-6-(2-phenylethyl)bicyclo[3.1.0]hex-2-ene

  • Molecular FormulaC30H40O
  • Average mass416.638 Da
  • Monoisotopic mass416.307922 Da
  • ChemSpider ID74110441

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4R,5R,6S)-3-(Benzyloxy)-4-isopropyl-5-methyl-1-pentyl-6-(2-phenylethyl)bicyclo[3.1.0]hex-2-en [German] [ACD/IUPAC Name]
(1S,4R,5R,6S)-3-(Benzyloxy)-4-isopropyl-5-methyl-1-pentyl-6-(2-phenylethyl)bicyclo[3.1.0]hex-2-ene [ACD/IUPAC Name]
(1S,4R,5R,6S)-3-(Benzyloxy)-4-isopropyl-5-méthyl-1-pentyl-6-(2-phényléthyl)bicyclo[3.1.0]hex-2-ène [French] [ACD/IUPAC Name]
Bicyclo[3.1.0]hex-2-ene, 5-methyl-4-(1-methylethyl)-1-pentyl-6-(2-phenylethyl)-3-(phenylmethoxy)-, (1S,4R,5R,6S)- [ACD/Index 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: 522.5±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 272.3±20.0 °C
Index of Refraction: 1.562
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 10.03
ACD/LogD (pH 5.5): 9.81
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5146269.50
ACD/LogD (pH 7.4): 9.81
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5146269.50
Polar Surface Area: 9 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 407.3±5.0 cm3

Click to predict properties on the Chemicalize site


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