ChemSpider 2D Image | Methyl (1S,4S,6S,9E,13E,15S)-13-(2-methoxy-2-propanyl)-1,6-dimethyl-5,16-dioxatricyclo[13.1.0.0~4,6~]hexadeca-9,13-diene-10-carboxylate | C22H34O5

Methyl (1S,4S,6S,9E,13E,15S)-13-(2-methoxy-2-propanyl)-1,6-dimethyl-5,16-dioxatricyclo[13.1.0.04,6]hexadeca-9,13-diene-10-carboxylate

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID40256730

  • 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,4S,6S,9E,13E,15S)-13-(2-Méthoxy-2-propanyl)-1,6-diméthyl-5,16-dioxatricyclo[13.1.0.04,6]hexadéca-9,13-diène-10-carboxylate de méthyle [French] [ACD/IUPAC Name]
5,16-Dioxatricyclo[13.1.0.04,6]hexadeca-9,13-diene-10-carboxylic acid, 13-(1-methoxy-1-methylethyl)-1,6-dimethyl-, methyl ester, (1S,4S,6S,9E,13E,15S)- [ACD/Index Name]
Methyl (1S,4S,6S,9E,13E,15S)-13-(2-methoxy-2-propanyl)-1,6-dimethyl-5,16-dioxatricyclo[13.1.0.04,6]hexadeca-9,13-diene-10-carboxylate [ACD/IUPAC Name]
Methyl-(1S,4S,6S,9E,13E,15S)-13-(2-methoxy-2-propanyl)-1,6-dimethyl-5,16-dioxatricyclo[13.1.0.04,6]hexadeca-9,13-dien-10-carboxylat [German] [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: 452.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 193.2±28.8 °C
Index of Refraction: 1.501
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.49
ACD/KOC (pH 5.5): 2686.30
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.49
ACD/KOC (pH 7.4): 2686.30
Polar Surface Area: 61 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 36.7±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site


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