ChemSpider 2D Image | (5R,7S,7aS)-7-Hydroxy-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-1H-indene-4-carbaldehyde | C14H20O2

(5R,7S,7aS)-7-Hydroxy-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-1H-indene-4-carbaldehyde

  • Molecular FormulaC14H20O2
  • Average mass220.307 Da
  • Monoisotopic mass220.146332 Da
  • ChemSpider ID78440791

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,7S,7aS)-7-Hydroxy-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-1H-inden-4-carbaldehyd [German] [ACD/IUPAC Name]
(5R,7S,7aS)-7-Hydroxy-1,1,3,5-tetramethyl-5,6,7,7a-tetrahydro-1H-indene-4-carbaldehyde [ACD/IUPAC Name]
(5R,7S,7aS)-7-Hydroxy-1,1,3,5-tétraméthyl-5,6,7,7a-tétrahydro-1H-indène-4-carbaldéhyde [French] [ACD/IUPAC Name]
1H-Indene-4-carboxaldehyde, 5,6,7,7a-tetrahydro-7-hydroxy-1,1,3,5-tetramethyl-, (5R,7S,7aS)- [ACD/Index Name]
7,8-Dehydronorbotryal

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

Density: 1.1±0.1 g/cm3
Boiling Point: 348.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.7±6.0 kJ/mol
Flash Point: 148.5±20.5 °C
Index of Refraction: 1.533
Molar Refractivity: 63.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 81.00
ACD/KOC (pH 5.5): 808.58
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 81.00
ACD/KOC (pH 7.4): 808.58
Polar Surface Area: 37 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 205.3±5.0 cm3

Click to predict properties on the Chemicalize site


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