ChemSpider 2D Image | Iridodial | C10H16O2

Iridodial

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID30791274

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,5R)-2-Methyl-5-[(2S)-1-oxo-2-propanyl]cyclopentancarbaldehyd [German] [ACD/IUPAC Name]
(1S,2S,5R)-2-Methyl-5-[(2S)-1-oxo-2-propanyl]cyclopentanecarbaldehyde [ACD/IUPAC Name]
(1S,2S,5R)-2-Méthyl-5-[(2S)-1-oxo-2-propanyl]cyclopentanecarbaldéhyde [French] [ACD/IUPAC Name]
550-45-8 [RN]
Cyclopentaneacetaldehyde, 2-formyl-α,3-dimethyl-, (αS,1R,2S,3S)- [ACD/Index Name]
Iridodial

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

Density: 1.0±0.1 g/cm3
Boiling Point: 250.9±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 92.2±16.8 °C
Index of Refraction: 1.500
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.87
ACD/KOC (pH 5.5): 191.98
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.87
ACD/KOC (pH 7.4): 191.98
Polar Surface Area: 34 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 164.7±3.0 cm3

Click to predict properties on the Chemicalize site


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