ChemSpider 2D Image | MFCD10569997 | C28H44O7

MFCD10569997

  • Molecular FormulaC28H44O7
  • Average mass492.645 Da
  • Monoisotopic mass492.308716 Da
  • ChemSpider ID22900131

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,3S)-8-Hydroxy-2-[(4-methoxybenzyl)oxy]-3-[(2-methoxyethoxy)methoxy]-4,4,12,12-tetramethylbicyclo[6.3.1]dodecan-9-on [German] [ACD/IUPAC Name]
(2R,3S)-8-Hydroxy-2-[(4-methoxybenzyl)oxy]-3-[(2-methoxyethoxy)methoxy]-4,4,12,12-tetramethylbicyclo[6.3.1]dodecan-9-one [ACD/IUPAC Name]
(2R,3S)-8-Hydroxy-2-[(4-méthoxybenzyl)oxy]-3-[(2-méthoxyéthoxy)méthoxy]-4,4,12,12-tétraméthylbicyclo[6.3.1]dodécan-9-one [French] [ACD/IUPAC Name]
Bicyclo[6.3.1]dodecan-9-one, 8-hydroxy-3-[(2-methoxyethoxy)methoxy]-2-[(4-methoxyphenyl)methoxy]-4,4,12,12-tetramethyl-, (2R,3S)- [ACD/Index Name]
MFCD10569997

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

Density: 1.1±0.1 g/cm3
Boiling Point: 576.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 179.1±23.6 °C
Index of Refraction: 1.528
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 956.75
ACD/KOC (pH 5.5): 4734.30
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 956.74
ACD/KOC (pH 7.4): 4734.27
Polar Surface Area: 83 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 438.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement