Found 1 result

Search term: ZABAWBAJZCMNQM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1R,3aR,4aR,6S,8aS,10aS)-1-Isopropyl-3a,8a-dimethyl-5-methylenedecahydrobenzo[f]azulene-1,4a,6,10a(1H,5H)-tetrol | C20H34O4

(1R,3aR,4aR,6S,8aS,10aS)-1-Isopropyl-3a,8a-dimethyl-5-methylenedecahydrobenzo[f]azulene-1,4a,6,10a(1H,5H)-tetrol

  • Molecular FormulaC20H34O4
  • Average mass338.482 Da
  • Monoisotopic mass338.245697 Da
  • ChemSpider ID29213274

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3aR,4aR,6S,8aS,10aS)-1-Isopropyl-3a,8a-dimethyl-5-methylendecahydrobenzo[f]azulen-1,4a,6,10a(1H,5H)-tetrol [German] [ACD/IUPAC Name]
(1R,3aR,4aR,6S,8aS,10aS)-1-Isopropyl-3a,8a-dimethyl-5-methylenedecahydrobenzo[f]azulene-1,4a,6,10a(1H,5H)-tetrol [ACD/IUPAC Name]
(1R,3aR,4aR,6S,8aS,10aS)-1-Isopropyl-3a,8a-diméthyl-5-méthylènedécahydrobenzo[f]azulène-1,4a,6,10a(1H,5H)-tétrol [French] [ACD/IUPAC Name]
Benz[f]azulene-1,4a,6,10a(1H,5H)-tetrol, decahydro-3a,8a-dimethyl-5-methylene-1-(1-methylethyl)-, (1R,3aR,4aR,6S,8aS,10aS)- [ACD/Index Name]
dichototetraol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 203.1±23.3 °C
Index of Refraction: 1.565
Molar Refractivity: 94.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.45
ACD/KOC (pH 5.5): 401.37
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.45
ACD/KOC (pH 7.4): 401.37
Polar Surface Area: 81 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 289.1±5.0 cm3

Click to predict properties on the Chemicalize site


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