ChemSpider 2D Image | (2R,5R,10R)-10-Hydroxy-2,7,8,10-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1-oxaspiro[4.5]dec-7-ene-6,9-dione | C29H50O4

(2R,5R,10R)-10-Hydroxy-2,7,8,10-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1-oxaspiro[4.5]dec-7-ene-6,9-dione

  • Molecular FormulaC29H50O4
  • Average mass462.705 Da
  • Monoisotopic mass462.370911 Da
  • ChemSpider ID58125790

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,5R,10R)-10-Hydroxy-2,7,8,10-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1-oxaspiro[4.5]dec-7-en-6,9-dion [German] [ACD/IUPAC Name]
(2R,5R,10R)-10-Hydroxy-2,7,8,10-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1-oxaspiro[4.5]dec-7-ene-6,9-dione [ACD/IUPAC Name]
(2R,5R,10R)-10-Hydroxy-2,7,8,10-tétraméthyl-2-[(4R,8R)-4,8,12-triméthyltridécyl]-1-oxaspiro[4.5]déc-7-ène-6,9-dione [French] [ACD/IUPAC Name]
1-Oxaspiro[4.5]dec-7-ene-6,9-dione, 10-hydroxy-2,7,8,10-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R,5R,10R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 562.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 171.5±23.6 °C
Index of Refraction: 1.501
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 7.92
ACD/BCF (pH 5.5): 615703.31
ACD/KOC (pH 5.5): 484844.72
ACD/LogD (pH 7.4): 7.92
ACD/BCF (pH 7.4): 615641.13
ACD/KOC (pH 7.4): 484795.75
Polar Surface Area: 64 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 458.7±5.0 cm3

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