ChemSpider 2D Image | (1S,4aR,5S,8aR)-5-[(3R)-5-Hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid | C20H34O3

(1S,4aR,5S,8aR)-5-[(3R)-5-Hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC20H34O3
  • Average mass322.482 Da
  • Monoisotopic mass322.250793 Da
  • ChemSpider ID28424431

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,4aR,5S,8aR)-5-[(3R)-5-Hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylendecahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1S,4aR,5S,8aR)-5-[(3R)-5-Hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, decahydro-5-[(3R)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)- [ACD/Index Name]
Acide (1S,4aR,5S,8aR)-5-[(3R)-5-hydroxy-3-méthylpentyl]-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
(1S,4Ar,5S,8aR)-5-[(3R)-5-hydroxy-3-methylpentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
[6832-60-6] [RN]
6832-60-6 [RN]
Imbricatolic acid
MFCD20260650

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

Density: 1.0±0.1 g/cm3
Boiling Point: 446.7±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.3±6.0 kJ/mol
Flash Point: 238.1±23.3 °C
Index of Refraction: 1.514
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 398.97
ACD/KOC (pH 5.5): 1423.92
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 6.30
ACD/KOC (pH 7.4): 22.50
Polar Surface Area: 58 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 309.5±5.0 cm3

Click to predict properties on the Chemicalize site


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