ChemSpider 2D Image | (1S,2S,5R,8S,9R)-1-(Hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.0~2,5~]dodecan-9-ol | C15H26O3

(1S,2S,5R,8S,9R)-1-(Hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol

  • Molecular FormulaC15H26O3
  • Average mass254.365 Da
  • Monoisotopic mass254.188202 Da
  • ChemSpider ID29214043

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,2S,5R,8S,9R)-1-(Hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol [German] [ACD/IUPAC Name]
(1S,2S,5R,8S,9R)-1-(Hydroxymethyl)-4,4,8-trimethyl-12-oxatricyclo[6.3.1.02,5]dodecan-9-ol [ACD/IUPAC Name]
(1S,2S,5R,8S,9R)-1-(Hydroxyméthyl)-4,4,8-triméthyl-12-oxatricyclo[6.3.1.02,5]dodécan-9-ol [French] [ACD/IUPAC Name]
12-Oxatricyclo[6.3.1.02,5]dodecane-1-methanol, 9-hydroxy-4,4,8-trimethyl-, (1S,2S,5R,8S,9R)- [ACD/Index Name]
rumphellolide H

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

Density: 1.1±0.1 g/cm3
Boiling Point: 368.9±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.2±6.0 kJ/mol
Flash Point: 176.9±19.6 °C
Index of Refraction: 1.523
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.78
ACD/KOC (pH 5.5): 468.36
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.78
ACD/KOC (pH 7.4): 468.36
Polar Surface Area: 50 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 229.4±3.0 cm3

Click to predict properties on the Chemicalize site


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