ChemSpider 2D Image | (3aR,3bS,5aS,6S,8aS,8bS,10aR)-3a,5a-Dimethyltetradecahydro-1H-cyclopenta[5,6]naphtho[1,2-c]thiophen-6-yl acetate | C19H30O2S

(3aR,3bS,5aS,6S,8aS,8bS,10aR)-3a,5a-Dimethyltetradecahydro-1H-cyclopenta[5,6]naphtho[1,2-c]thiophen-6-yl acetate

  • Molecular FormulaC19H30O2S
  • Average mass322.505 Da
  • Monoisotopic mass322.196655 Da
  • ChemSpider ID34242339

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aR,3bS,5aS,6S,8aS,8bS,10aR)-3a,5a-Dimethyltetradecahydro-1H-cyclopenta[5,6]naphtho[1,2-c]thiophen-6-yl acetate [ACD/IUPAC Name]
(3aR,3bS,5aS,6S,8aS,8bS,10aR)-3a,5a-Dimethyltetradecahydro-1H-cyclopenta[5,6]naphtho[1,2-c]thiophen-6-yl-acetat [German] [ACD/IUPAC Name]
1H-Cyclopenta[5,6]naphtho[1,2-c]thiophene-6-ol, tetradecahydro-3a,5a-dimethyl-, acetate, (3aR,3bS,5aS,6S,8aS,8bS,10aR)- [ACD/Index Name]
Acétate de (3aR,3bS,5aS,6S,8aS,8bS,10aR)-3a,5a-diméthyltétradécahydro-1H-cyclopenta[5,6]naphto[1,2-c]thiophén-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 406.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 184.6±14.8 °C
Index of Refraction: 1.551
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2892.50
ACD/KOC (pH 5.5): 10451.40
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2892.50
ACD/KOC (pH 7.4): 10451.40
Polar Surface Area: 52 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 287.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement