Found 6 results

Search term: MF = 'C_{27}H_{37}BrO_{3}'
ChemSpider 2D Image | (3R,3aR,6E,8S,10E,12aR)-3-Hydroxy-3-isopropyl-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-8-yl 4-bromobenzoate | C27H37BrO3

(3R,3aR,6E,8S,10E,12aR)-3-Hydroxy-3-isopropyl-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-8-yl 4-bromobenzoate

  • Molecular FormulaC27H37BrO3
  • Average mass489.485 Da
  • Monoisotopic mass488.192596 Da
  • ChemSpider ID30781502

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3aR,6E,8S,10E,12aR)-3-Hydroxy-3-isopropyl-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-8-yl 4-bromobenzoate [ACD/IUPAC Name]
(3R,3aR,6E,8S,10E,12aR)-3-Hydroxy-3-isopropyl-6,10,12a-trimethyl-1,2,3,3a,4,5,8,9,12,12a-decahydrocyclopenta[11]annulen-8-yl-4-brombenzoat [German] [ACD/IUPAC Name]
4-Bromobenzoate de (3R,3aR,6E,8S,10E,12aR)-3-hydroxy-3-isopropyl-6,10,12a-triméthyl-1,2,3,3a,4,5,8,9,12,12a-décahydrocyclopenta[11]annulén-8-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-bromo-, (1R,3aR,5E,8S,9E,12aR)-1,2,3,3a,4,7,8,11,12,12a-decahydro-1-hydroxy-3a,6,10-trimethyl-1-(1-methylethyl)-8-cyclopentacycloundecenyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.8±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 130.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.09
ACD/LogD (pH 5.5): 8.41
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 895487.94
ACD/LogD (pH 7.4): 8.41
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 895487.94
Polar Surface Area: 47 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 397.1±5.0 cm3

Click to predict properties on the Chemicalize site


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