ChemSpider 2D Image | 3-Ethynyl-3-hydroxy-3a-methyl-7-methylenedodecahydro-2'H-spiro[cyclopenta[a]naphthalene-6,1'-cyclopentan]-2'-one | C21H28O2

3-Ethynyl-3-hydroxy-3a-methyl-7-methylenedodecahydro-2'H-spiro[cyclopenta[a]naphthalene-6,1'-cyclopentan]-2'-one

  • Molecular FormulaC21H28O2
  • Average mass312.446 Da
  • Monoisotopic mass312.208923 Da
  • ChemSpider ID21204228

More details:

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

3-Ethynyl-3-hydroxy-3a-methyl-7-methylenedodecahydro-2'H-spiro[cyclopenta[a]naphthalene-6,1'-cyclopentan]-2'-one [ACD/IUPAC Name]
Spiro[6H-benz[e]indene-6,1'-cyclopentan]-2'-one, 3-ethynyldodecahydro-3-hydroxy-3a-methyl-7-methylene- [ACD/Index 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: 442.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±6.0 kJ/mol
Flash Point: 188.6±21.3 °C
Index of Refraction: 1.566
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 432.05
ACD/KOC (pH 5.5): 2679.90
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 432.05
ACD/KOC (pH 7.4): 2679.90
Polar Surface Area: 37 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 276.1±5.0 cm3

Click to predict properties on the Chemicalize site


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