ChemSpider 2D Image | (1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxybenzoate | C22H30O4

(1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxybenzoate

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID48065930
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1S,3Z,7Z,9S,10S)-9-Hydroxy-10-isopropyl-3,7-dimethyl-3,7-cyclodecadien-1-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1S,3Z,7Z,9S,10S)-9-hydroxy-10-isopropyl-3,7-diméthyl-3,7-cyclodécadién-1-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1S,3Z,7Z,9S,10S)-9-hydroxy-3,7-dimethyl-10-(1-methylethyl)-3,7-cyclodecadien-1-yl ester [ACD/Index Name]
(1S,9S,10S)-9-hydroxy-10-isopropyl-3,7-dimethylcyclodeca-3,7-dien-1-yl 4-hydroxybenzoate
[(1S,3Z,7E,9S,10S)-9-hydroxy-3,7-dimethyl-10-propan-2-ylcyclodeca-3,7-dien-1-yl] 4-hydroxybenzoate
112514-63-3 [RN]
c22h30o4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 508.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 171.2±23.6 °C
Index of Refraction: 1.559
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12526.47
ACD/KOC (pH 5.5): 29820.83
ACD/LogD (pH 7.4): 5.62
ACD/BCF (pH 7.4): 10553.64
ACD/KOC (pH 7.4): 25124.25
Polar Surface Area: 67 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 319.1±5.0 cm3

Click to predict properties on the Chemicalize site






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