ChemSpider 2D Image | (1'S,2S,2'S,3'R,6'R,8'S,9'S,10'R)-3'-Isopropyl-6'-methylspiro[oxirane-2,7'-tricyclo[4.4.0.0~2,8~]decane]-9',10'-diol | C15H24O3

(1'S,2S,2'S,3'R,6'R,8'S,9'S,10'R)-3'-Isopropyl-6'-methylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID29213090

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1'S,2S,2'S,3'R,6'R,8'S,9'S,10'R)-3'-Isopropyl-6'-methylspiro[oxirane-2,7'-tricyclo[4.4.0.02,8]decane]-9',10'-diol [ACD/IUPAC Name]
sativene epoxide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 367.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.1±6.0 kJ/mol
Flash Point: 176.0±26.5 °C
Index of Refraction: 1.570
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.08
ACD/KOC (pH 5.5): 77.85
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 3.08
ACD/KOC (pH 7.4): 77.85
Polar Surface Area: 53 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 207.2±5.0 cm3

Click to predict properties on the Chemicalize site


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