ChemSpider 2D Image | (1R,4S,6S,10S)-4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodecane | C15H24O

(1R,4S,6S,10S)-4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID21171591

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,4S,6S,10S)-4,12,12-Trimethyl-9-methylen-5-oxatricyclo[8.2.0.04,6]dodecan [German] [ACD/IUPAC Name]
(1R,4S,6S,10S)-4,12,12-Trimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodecane [ACD/IUPAC Name]
(1R,4S,6S,10S)-4,12,12-Triméthyl-9-méthylène-5-oxatricyclo[8.2.0.04,6]dodécane [French] [ACD/IUPAC Name]
5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12-trimethyl-9-methylene-, (1R,4S,6S,10S)- [ACD/Index Name]
CARYOPHYLLENE OXIDE

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

W509647_ALDRICH [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 279.7±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.8±3.0 kJ/mol
Flash Point: 119.7±19.5 °C
Index of Refraction: 1.507
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1480.69
ACD/KOC (pH 5.5): 6471.65
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1480.69
ACD/KOC (pH 7.4): 6471.65
Polar Surface Area: 13 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 32.6±5.0 dyne/cm
Molar Volume: 223.7±5.0 cm3

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