ChemSpider 2D Image | (2E)-5-[(1S,4aR,5S,8aR)-5-(Hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoic acid | C20H32O3

(2E)-5-[(1S,4aR,5S,8aR)-5-(Hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoic acid

  • Molecular FormulaC20H32O3
  • Average mass320.466 Da
  • Monoisotopic mass320.235138 Da
  • ChemSpider ID24731942

  • 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

(2E)-5-[(1S,4aR,5S,8aR)-5-(Hydroxymethyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]-3-methyl-2-pentensäure [German] [ACD/IUPAC Name]
(2E)-5-[(1S,4aR,5S,8aR)-5-(Hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-2-pentenoic acid [ACD/IUPAC Name]
2-Pentenoic acid, 5-[(1S,4aR,5S,8aR)-decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]-3-methyl-, (2E)- [ACD/Index Name]
Acide (2E)-5-[(1S,4aR,5S,8aR)-5-(hydroxyméthyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]-3-méthyl-2-penténoïque [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 460.0±18.0 °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: 246.1±17.7 °C
Index of Refraction: 1.528
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 733.48
ACD/KOC (pH 5.5): 2819.09
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 13.81
ACD/KOC (pH 7.4): 53.07
Polar Surface Area: 58 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 302.1±5.0 cm3

Click to predict properties on the Chemicalize site


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