ChemSpider 2D Image | 4-[(2R,5S,6R)-5-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol | C18H24O3

4-[(2R,5S,6R)-5-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol

  • Molecular FormulaC18H24O3
  • Average mass288.381 Da
  • Monoisotopic mass288.172546 Da
  • ChemSpider ID21169277

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-Oxabicyclo[3.3.1]non-6-ene-1-methanol, 4-(4-hydroxyphenyl)-6,8,9-trimethyl-, (1S,4R,8R)- [ACD/Index Name]
4-[(2R,5S,6R)-5-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol [ACD/IUPAC Name]
4-[(2R,5S,6R)-5-(Hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol [German] [ACD/IUPAC Name]
4-[(2R,5S,6R)-5-(Hydroxyméthyl)-6,8,9-triméthyl-3-oxabicyclo[3.3.1]non-7-én-2-yl]phénol [French] [ACD/IUPAC Name]
4-(5-(hydroxymethyl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenol

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

nchembio.76-comp36 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 422.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 209.3±28.7 °C
Index of Refraction: 1.552
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 184.67
ACD/KOC (pH 5.5): 1458.46
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.98
ACD/KOC (pH 7.4): 1452.98
Polar Surface Area: 50 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 258.9±3.0 cm3

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