ChemSpider 2D Image | (1S,3aR,3bR,5aS,7R,8aR,8bS,10aS)-1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol | C22H30O2

(1S,3aR,3bR,5aS,7R,8aR,8bS,10aS)-1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol

  • Molecular FormulaC22H30O2
  • Average mass326.472 Da
  • Monoisotopic mass326.224579 Da
  • ChemSpider ID114814654

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3aR,3bR,5aS,7R,8aR,8bS,10aS)-1,7-Diethinyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalin-1,7-diol [German] [ACD/IUPAC Name]
(1S,3aR,3bR,5aS,7R,8aR,8bS,10aS)-1,7-Diéthynyl-8a,10a-diméthylhexadécahydrodicyclopenta[a,f]naphtalène-1,7-diol [French] [ACD/IUPAC Name]
(1S,3aR,3bR,5aS,7R,8aR,8bS,10aS)-1,7-Diethynyl-8a,10a-dimethylhexadecahydrodicyclopenta[a,f]naphthalene-1,7-diol [ACD/IUPAC Name]
Dicyclopenta[a,f]naphthalene-1,7-diol, 1,7-diethynylhexadecahydro-8a,10a-dimethyl-, (1S,3aR,3bR,5aS,7R,8aR,8bS,10aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 430.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±6.0 kJ/mol
Flash Point: 188.7±23.3 °C
Index of Refraction: 1.580
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 882.32
ACD/KOC (pH 5.5): 4467.66
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 882.32
ACD/KOC (pH 7.4): 4467.64
Polar Surface Area: 40 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 283.5±5.0 cm3

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