ChemSpider 2D Image | Kaura-9(11),16-dien-18-oic acid | C20H28O2

Kaura-9(11),16-dien-18-oic acid

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID24657544

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acide kaura-9(11),16-dién-18-oïque [French] [ACD/IUPAC Name]
Kaura-9(11),16-dien-18-oic acid [ACD/IUPAC Name]
Kaura-9(11),16-dien-18-säure [German] [ACD/IUPAC Name]
(1S,4S,5R,9R,13R)-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
22338-67-6 [RN]
ent-kaura-9(11),16-dien-18-oic acid
Grandiflorenic acid
kauradienoic acid
MFCD22417331

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

Density: 1.1±0.1 g/cm3
Boiling Point: 447.5±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 209.7±23.1 °C
Index of Refraction: 1.567
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 2996.35
ACD/KOC (pH 5.5): 6056.62
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 47.39
ACD/KOC (pH 7.4): 95.79
Polar Surface Area: 37 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 267.5±5.0 cm3

Click to predict properties on the Chemicalize site


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