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Search term: 77001457 (Found by CSID)
ChemSpider 2D Image | (6R)-6-[(1S,4S)-4-Hydroxy-4-methyl-2-cyclohexen-1-yl]-2-heptanyl acetate | C16H28O3

(6R)-6-[(1S,4S)-4-Hydroxy-4-methyl-2-cyclohexen-1-yl]-2-heptanyl acetate

  • Molecular FormulaC16H28O3
  • Average mass268.392 Da
  • Monoisotopic mass268.203857 Da
  • ChemSpider ID77001457

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(6R)-6-[(1S,4S)-4-Hydroxy-4-methyl-2-cyclohexen-1-yl]-2-heptanyl acetate [ACD/IUPAC Name]
(6R)-6-[(1S,4S)-4-Hydroxy-4-methyl-2-cyclohexen-1-yl]-2-heptanyl-acetat [German] [ACD/IUPAC Name]
2-Cyclohexene-1-pentanol, 4-hydroxy-α,ε,4-trimethyl-, α-acetate, (εR,1S,4S)- [ACD/Index Name]
Acétate de (6R)-6-[(1S,4S)-4-hydroxy-4-méthyl-2-cyclohexén-1-yl]-2-heptanyle [French] [ACD/IUPAC Name]
trichobisabolin D

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

Density: 1.0±0.1 g/cm3
Boiling Point: 347.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.6±6.0 kJ/mol
Flash Point: 131.6±15.9 °C
Index of Refraction: 1.481
Molar Refractivity: 76.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 270.49
ACD/KOC (pH 5.5): 1916.63
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 270.49
ACD/KOC (pH 7.4): 1916.63
Polar Surface Area: 47 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 270.2±3.0 cm3

Click to predict properties on the Chemicalize site


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