ChemSpider 2D Image | 2-[(2S,4aS,8aS)-4a-Methyl-8-(~2~H_2_)methylene(7,7,8a-~2~H_3_)decahydro-2-naphthalenyl]-2-propanol | C15H21D5O

2-[(2S,4aS,8aS)-4a-Methyl-8-(2H2)methylene(7,7,8a-2H3)decahydro-2-naphthalenyl]-2-propanol

  • Molecular FormulaC15H21D5O
  • Average mass227.397 Da
  • Monoisotopic mass227.229752 Da
  • ChemSpider ID111314581

  • 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

2-[(2S,4aS,8aS)-4a-Methyl-8-(2H2)methylen(7,7,8a-2H3)decahydro-2-naphthalinyl]-2-propanol [German] [ACD/IUPAC Name]
2-[(2S,4aS,8aS)-4a-Méthyl-8-(2H2)méthylène(7,7,8a-2H3)décahydro-2-naphtalényl]-2-propanol [French] [ACD/IUPAC Name]
2-[(2S,4aS,8aS)-4a-Methyl-8-(2H2)methylene(7,7,8a-2H3)decahydro-2-naphthalenyl]-2-propanol [ACD/IUPAC Name]
Naphthalene-7-d-2-methanol, decahydro-7,8a-d2-α,α,4a-trimethyl-8-(methylene-d2)-, (2S,4aS,8aS)- [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: 301.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.9±6.0 kJ/mol
Flash Point: 108.6±15.6 °C
Index of Refraction: 1.499
Molar Refractivity: 68.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 876.98
ACD/KOC (pH 5.5): 4448.30
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 876.98
ACD/KOC (pH 7.4): 4448.30
Polar Surface Area: 20 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 33.9±5.0 dyne/cm
Molar Volume: 233.2±5.0 cm3

Click to predict properties on the Chemicalize site


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