ChemSpider 2D Image | (1S,2S,5Z,9E,11R,12R)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadeca-5,9-dien-2-yl acetate | C22H36O3

(1S,2S,5Z,9E,11R,12R)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadeca-5,9-dien-2-yl acetate

  • Molecular FormulaC22H36O3
  • Average mass348.519 Da
  • Monoisotopic mass348.266449 Da
  • ChemSpider ID40256703

  • 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

(1S,2S,5Z,9E,11R,12R)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadeca-5,9-dien-2-yl acetate [ACD/IUPAC Name]
(1S,2S,5Z,9E,11R,12R)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadeca-5,9-dien-2-yl-acetat [German] [ACD/IUPAC Name]
15-Oxabicyclo[9.3.1]pentadeca-5,9-dien-2-ol, 1,5,9-trimethyl-12-(1-methylethyl)-, acetate, (1S,2S,5Z,9E,11R,12R)- [ACD/Index Name]
Acétate de (1S,2S,5Z,9E,11R,12R)-12-isopropyl-1,5,9-triméthyl-15-oxabicyclo[9.3.1]pentadéca-5,9-dién-2-yle [French] [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: 424.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 180.9±23.3 °C
Index of Refraction: 1.497
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 43412.02
ACD/KOC (pH 5.5): 72641.38
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 43412.02
ACD/KOC (pH 7.4): 72641.38
Polar Surface Area: 36 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 35.2±5.0 dyne/cm
Molar Volume: 350.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement