Found 1 result

Search term: 78441224 (Found by CSID)
ChemSpider 2D Image | Methyl (4aS,9R,9aR)-9-hydroxy-6,6,9-trimethyl-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene-3-carboxylate | C16H26O3

Methyl (4aS,9R,9aR)-9-hydroxy-6,6,9-trimethyl-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene-3-carboxylate

  • Molecular FormulaC16H26O3
  • Average mass266.376 Da
  • Monoisotopic mass266.188202 Da
  • ChemSpider ID78441224

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aS,9R,9aR)-9-Hydroxy-6,6,9-triméthyl-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Benzocycloheptene-3-carboxylic acid, 2,4a,5,6,7,8,9,9a-octahydro-9-hydroxy-6,6,9-trimethyl-, methyl ester, (4aS,9R,9aR)- [ACD/Index Name]
Methyl (4aS,9R,9aR)-9-hydroxy-6,6,9-trimethyl-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene-3-carboxylate [ACD/IUPAC Name]
Methyl-(4aS,9R,9aR)-9-hydroxy-6,6,9-trimethyl-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulen-3-carboxylat [German] [ACD/IUPAC Name]
Malfilanol B

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

Density: 1.0±0.1 g/cm3
Boiling Point: 352.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 136.6±20.7 °C
Index of Refraction: 1.490
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 529.66
ACD/KOC (pH 5.5): 3100.55
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 529.66
ACD/KOC (pH 7.4): 3100.55
Polar Surface Area: 47 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 258.9±3.0 cm3

Click to predict properties on the Chemicalize site


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