ChemSpider 2D Image | (1S,4S,6S,11R)-9-Isopropylidene-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.0~4,6~]dodecan-8-one | C15H22O3

(1S,4S,6S,11R)-9-Isopropylidene-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID57576765

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4S,6S,11R)-9-Isopropyliden-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-on [German] [ACD/IUPAC Name]
(1S,4S,6S,11R)-9-Isopropylidene-1,6-dimethyl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-one [ACD/IUPAC Name]
(1S,4S,6S,11R)-9-Isopropylidène-1,6-diméthyl-5,12-dioxatricyclo[9.1.0.04,6]dodécan-8-one [French] [ACD/IUPAC Name]
5,12-Dioxatricyclo[9.1.0.04,6]dodecan-8-one, 1,6-dimethyl-9-(1-methylethylidene)-, (1S,4S,6S,11R)- [ACD/Index Name]
1,10:4,5-Diepoxy-7(11)-germacren-8-one
32179-18-3 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 358.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 162.1±14.3 °C
Index of Refraction: 1.519
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.94
ACD/KOC (pH 5.5): 433.82
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.94
ACD/KOC (pH 7.4): 433.82
Polar Surface Area: 42 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 224.9±3.0 cm3

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