ChemSpider 2D Image | (6aR,9R,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-yl acetate | C25H38O3

(6aR,9R,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-yl acetate

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID115285282

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6aR,9R,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-yl acetate [ACD/IUPAC Name]
(6aR,9R,10aR)-3-Heptyl-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1-yl-acetat [German] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 3-heptyl-6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-, acetate, (6aR,9R,10aR)- [ACD/Index Name]
Acétate de (6aR,9R,10aR)-3-heptyl-6,6,9-triméthyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromén-1-yle [French] [ACD/IUPAC 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: 449.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 192.5±23.0 °C
Index of Refraction: 1.499
Molar Refractivity: 114.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 8.69
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1263141.13
ACD/LogD (pH 7.4): 8.69
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1263141.13
Polar Surface Area: 36 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 390.7±3.0 cm3

Click to predict properties on the Chemicalize site


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