ChemSpider 2D Image | (1R,2S,5Z,9E,11S,12S)-12-[(2R)-1-Acetoxy-2-propanyl]-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadeca-5,9-dien-2-yl acetate | C24H38O5

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

  • Molecular FormulaC24H38O5
  • Average mass406.556 Da
  • Monoisotopic mass406.271912 Da
  • ChemSpider ID44210785

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1R,2S,5Z,9E,11S,12S)-12-[(2R)-1-Acetoxy-2-propanyl]-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadeca-5,9-dien-2-yl acetate [ACD/IUPAC Name]
(1R,2S,5Z,9E,11S,12S)-12-[(2R)-1-Acetoxy-2-propanyl]-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-diene-12-ethanol, 2-(acetyloxy)-β,1,5,9-tetramethyl-, acetate, (βR,1R,2S,5Z,9E,11S,12S)- [ACD/Index Name]
Acétate de (1R,2S,5Z,9E,11S,12S)-12-[(2R)-1-acétoxy-2-propanyl]-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: 1.1±0.1 g/cm3
Boiling Point: 476.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 201.4±28.8 °C
Index of Refraction: 1.502
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13842.05
ACD/KOC (pH 5.5): 32052.31
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13842.05
ACD/KOC (pH 7.4): 32052.31
Polar Surface Area: 62 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 386.0±5.0 cm3

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