ChemSpider 2D Image | (1s,4r,6R,7S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-6,7-diol | C10H18O3

(1s,4r,6R,7S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-6,7-diol

  • Molecular FormulaC10H18O3
  • Average mass186.248 Da
  • Monoisotopic mass186.125595 Da
  • ChemSpider ID32700083

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,4r,6R,7S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6,7-diol [German] [ACD/IUPAC Name]
(1s,4r,6R,7S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane-6,7-diol [ACD/IUPAC Name]
(1s,4r,6R,7S)-1,3,3-Triméthyl-2-oxabicyclo[2.2.2]octane-6,7-diol [French] [ACD/IUPAC Name]
1310101-21-3 [RN]
2-Oxabicyclo[2.2.2]octane-6,7-diol, 1,3,3-trimethyl-, (6R,7S)- [ACD/Index Name]
(3R,5S)-4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane-3,5-diol
Epomediol

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

KFU4XSK3BK [DBID]
UNII:KFU4XSK3BK [DBID]
UNII-KFU4XSK3BK [DBID]
ZINC00851688 [DBID]
ZINC01504608 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 299.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.6±6.0 kJ/mol
Flash Point: 135.1±23.2 °C
Index of Refraction: 1.521
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 61.18
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 61.18
Polar Surface Area: 50 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 161.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement