ChemSpider 2D Image | (1S,4R,10R)-7-Isopropyl-4,10-dimethyl-11,12-dioxatricyclo[5.3.2.0~1,5~]dodec-5-en-4-ol | C15H24O3

(1S,4R,10R)-7-Isopropyl-4,10-dimethyl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID28282885

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

Featured data source
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1S,4R,10R)-7-Isopropyl-4,10-dimethyl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol [German] [ACD/IUPAC Name]
(1S,4R,10R)-7-Isopropyl-4,10-dimethyl-11,12-dioxatricyclo[5.3.2.01,5]dodec-5-en-4-ol [ACD/IUPAC Name]
(1S,4R,10R)-7-Isopropyl-4,10-diméthyl-11,12-dioxatricyclo[5.3.2.01,5]dodéc-5-én-4-ol [French] [ACD/IUPAC Name]
1H-3a,7-Epidioxyazulen-1-ol, 2,3,4,5,6,7-hexahydro-1,4-dimethyl-7-(1-methylethyl)-, (1R,3aS,4R)- [ACD/Index Name]
4a-hydroxy-1b,7b-peroxy-10bH-guaia-5-ene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 332.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.7±6.0 kJ/mol
Flash Point: 155.2±27.9 °C
Index of Refraction: 1.534
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.74
ACD/KOC (pH 5.5): 1694.60
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.74
ACD/KOC (pH 7.4): 1694.60
Polar Surface Area: 39 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 225.2±5.0 cm3

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