ChemSpider 2D Image | Methyl (2Z)-5-[2-(formyloxy)-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate | C22H36O4

Methyl (2Z)-5-[2-(formyloxy)-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate

  • Molecular FormulaC22H36O4
  • Average mass364.519 Da
  • Monoisotopic mass364.261353 Da
  • ChemSpider ID30797055

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2Z)-5-[2-(Formyloxy)-2,5,5,8a-tétraméthyldécahydro-1-naphtalényl]-3-méthyl-2-penténoate de méthyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 5-[2-(formyloxy)decahydro-2,5,5,8a-tetramethyl-1-naphthalenyl]-3-methyl-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-5-[2-(formyloxy)-2,5,5,8a-tetramethyldecahydro-1-naphthalenyl]-3-methyl-2-pentenoate [ACD/IUPAC Name]
Methyl-(2Z)-5-[2-(formyloxy)-2,5,5,8a-tetramethyldecahydro-1-naphthalinyl]-3-methyl-2-pentenoat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 423.3±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 197.9±18.5 °C
Index of Refraction: 1.496
Molar Refractivity: 103.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31618.75
ACD/KOC (pH 5.5): 57895.50
ACD/LogD (pH 7.4): 6.22
ACD/BCF (pH 7.4): 31618.75
ACD/KOC (pH 7.4): 57895.50
Polar Surface Area: 53 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 354.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement