ChemSpider 2D Image | (4S,4aS,8aR)-4,8a-Dimethyl(2,2,3,5,5-~2~H_5_)octahydro-4a(2H)-naphthalenol | C12H17D5O

(4S,4aS,8aR)-4,8a-Dimethyl(2,2,3,5,5-2H5)octahydro-4a(2H)-naphthalenol

  • Molecular FormulaC12H17D5O
  • Average mass187.333 Da
  • Monoisotopic mass187.198456 Da
  • ChemSpider ID78076020

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S,4aS,8aR)-4,8a-Diméthyl(2,2,3,5,5-2H5)octahydro-4a(2H)-naphtalénol [French] [ACD/IUPAC Name]
(4S,4aS,8aR)-4,8a-Dimethyl(2,2,3,5,5-2H5)octahydro-4a(2H)-naphthalenol [ACD/IUPAC Name]
(4S,4aS,8aR)-4,8a-Dimethyl(2,2,3,5,5-2H5)octahydro-4a(2H)-naphthalinol [German] [ACD/IUPAC Name]
216166-83-5 [RN]
4a(2H)-Naphthalen-2,2,3,5-d4-ol, octahydro-5-d-4,8a-dimethyl-, (4S,4aS,8aR)- [ACD/Index Name]
4a(2H)-Naphthalen-2,2,3,5-d4-ol, octahydro-5-d-4,8a-dimethyl-, (4S,4aS,8aR)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 252.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 56.9±6.0 kJ/mol
Flash Point: 104.2±10.9 °C
Index of Refraction: 1.506
Molar Refractivity: 55.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.30
ACD/KOC (pH 5.5): 1204.17
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.30
ACD/KOC (pH 7.4): 1204.17
Polar Surface Area: 20 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 184.9±3.0 cm3

Click to predict properties on the Chemicalize site


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