ChemSpider 2D Image | (1S,2S,5S,8R,9R)-4,4,8-Trimethyltricyclo[6.3.1.0~1,5~]dodecane-2,9-diyl diacetate | C19H30O4

(1S,2S,5S,8R,9R)-4,4,8-Trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diyl diacetate

  • Molecular FormulaC19H30O4
  • Average mass322.439 Da
  • Monoisotopic mass322.214417 Da
  • ChemSpider ID28424501

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,5S,8R,9R)-4,4,8-Trimethyltricyclo[6.3.1.01,5]dodecan-2,9-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,2S,5S,8R,9R)-4,4,8-Trimethyltricyclo[6.3.1.01,5]dodecane-2,9-diyl diacetate [ACD/IUPAC Name]
3a,7-Methano-3aH-cyclopentacyclooctene-3,6-diol, decahydro-1,1,7-trimethyl-, diacetate, (3S,3aS,6R,7R,9aS)- [ACD/Index Name]
Diacétate de (1S,2S,5S,8R,9R)-4,4,8-triméthyltricyclo[6.3.1.01,5]dodécane-2,9-diyle [French] [ACD/IUPAC Name]
[2649-68-5] [RN]
2649-68-5 [RN]
CLOVANEDIOL DIACETATE
MFCD20260755

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

Density: 1.1±0.1 g/cm3
Boiling Point: 379.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 177.8±24.4 °C
Index of Refraction: 1.507
Molar Refractivity: 87.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.53
ACD/BCF (pH 5.5): 1635.51
ACD/KOC (pH 5.5): 6949.12
ACD/LogD (pH 7.4): 4.53
ACD/BCF (pH 7.4): 1635.51
ACD/KOC (pH 7.4): 6949.12
Polar Surface Area: 53 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 294.1±5.0 cm3

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