ChemSpider 2D Image | Velleral | C15H20O2

Velleral

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID20036851

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,8R,8aR)-2,2,8-Trimethyl-1,2,3,3a,8,8a-hexahydro-5,6-azulendicarbaldehyd [German] [ACD/IUPAC Name]
(3aR,8R,8aR)-2,2,8-Trimethyl-1,2,3,3a,8,8a-hexahydro-5,6-azulenedicarbaldehyde [ACD/IUPAC Name]
(3aR,8R,8aR)-2,2,8-Triméthyl-1,2,3,3a,8,8a-hexahydro-5,6-azulènedicarbaldéhyde [French] [ACD/IUPAC Name]
2,2,8-trimethyl-3,3a,8,8a-tetrahydro-1H-azulene-5,6-dicarbaldehyde
5,6-Azulenedicarboxaldehyde, 1,2,3,3a,8,8a-hexahydro-2,2,8-trimethyl-, (3aR,8R,8aR)- [ACD/Index Name]
5,6-Azulenedicarboxaldehyde, 1,2,3,3a,8,8a-hexahydro-2,2,8-trimethyl-, (3aα,8α,8aα)-(-)-
50656-61-6 [RN]
Velleral [Wiki]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL479316/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 341.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 127.9±20.2 °C
Index of Refraction: 1.579
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.11
ACD/KOC (pH 5.5): 1483.46
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.11
ACD/KOC (pH 7.4): 1483.46
Polar Surface Area: 34 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

Click to predict properties on the Chemicalize site


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