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-ol | C20H34O2

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

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID40256704

  • 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-ol [German] [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-ol [ACD/IUPAC Name]
(1S,2S,5Z,9E,11R,12R)-12-Isopropyl-1,5,9-triméthyl-15-oxabicyclo[9.3.1]pentadéca-5,9-dién-2-ol [French] [ACD/IUPAC Name]
15-Oxabicyclo[9.3.1]pentadeca-5,9-dien-2-ol, 1,5,9-trimethyl-12-(1-methylethyl)-, (1S,2S,5Z,9E,11R,12R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 414.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.1±6.0 kJ/mol
Flash Point: 164.4±23.0 °C
Index of Refraction: 1.484
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 8996.28
ACD/KOC (pH 5.5): 23545.52
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 8996.28
ACD/KOC (pH 7.4): 23545.52
Polar Surface Area: 29 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 30.9±3.0 dyne/cm
Molar Volume: 324.6±3.0 cm3

Click to predict properties on the Chemicalize site


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