ChemSpider 2D Image | (1R,4aR)-1,4a-Dimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1-naphthalenecarboxylic acid | C20H30O2

(1R,4aR)-1,4a-Dimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID129310534

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,4aR)-1,4a-Dimethyl-6-methylen-5-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1R,4aR)-1,4a-Dimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadien-1-yl]decahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadien-1-yl]-, (1R,4aR)- [ACD/Index Name]
Acide (1R,4aR)-1,4a-diméthyl-6-méthylène-5-[(2E)-3-méthyl-2,4-pentadién-1-yl]décahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 414.0±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 199.8±20.3 °C
Index of Refraction: 1.520
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 1584.31
ACD/KOC (pH 5.5): 3770.16
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 24.98
ACD/KOC (pH 7.4): 59.44
Polar Surface Area: 37 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 300.0±5.0 cm3

Click to predict properties on the Chemicalize site


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