Found 2 results

Search term: QVXHUQXNTXETOI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,2S,5S,7S,10R,11R)-10-[(2E)-4-Hydroperoxy-4-methyl-2-penten-1-yl]-2,7,10-trimethyl-6-oxatricyclo[9.1.0.0~5,7~]dodecan-2-ol | C20H34O4

(1R,2S,5S,7S,10R,11R)-10-[(2E)-4-Hydroperoxy-4-methyl-2-penten-1-yl]-2,7,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-ol

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID29213440

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,5S,7S,10R,11R)-10-[(2E)-4-Hydroperoxy-4-methyl-2-penten-1-yl]-2,7,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-ol [German] [ACD/IUPAC Name]
(1R,2S,5S,7S,10R,11R)-10-[(2E)-4-Hydroperoxy-4-methyl-2-penten-1-yl]-2,7,10-trimethyl-6-oxatricyclo[9.1.0.05,7]dodecan-2-ol [ACD/IUPAC Name]
(1R,2S,5S,7S,10R,11R)-10-[(2E)-4-Hydroperoxy-4-méthyl-2-pentén-1-yl]-2,7,10-triméthyl-6-oxatricyclo[9.1.0.05,7]dodécan-2-ol [French] [ACD/IUPAC Name]
6-Oxatricyclo[9.1.0.05,7]dodecan-2-ol, 10-[(2E)-4-hydroperoxy-4-methyl-2-penten-1-yl]-2,7,10-trimethyl-, (1R,2S,5S,7S,10R,11R)- [ACD/Index Name]
pacificin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 455.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±6.0 kJ/mol
Flash Point: 229.3±24.6 °C
Index of Refraction: 1.514
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 665.53
ACD/KOC (pH 5.5): 3651.10
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 665.52
ACD/KOC (pH 7.4): 3651.04
Polar Surface Area: 62 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 315.7±3.0 cm3

Click to predict properties on the Chemicalize site


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