Found 1 result

Search term: 78439028 (Found by CSID)
ChemSpider 2D Image | (1R,2R,4aR,6S,8aS)-2-Hydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid | C14H22O3

(1R,2R,4aR,6S,8aS)-2-Hydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid

  • Molecular FormulaC14H22O3
  • Average mass238.323 Da
  • Monoisotopic mass238.156891 Da
  • ChemSpider ID78439028

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,4aR,6S,8aS)-2-Hydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
(1R,2R,4aR,6S,8aS)-2-Hydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 1,2,4a,5,6,7,8,8a-octahydro-2-hydroxy-1,2,6-trimethyl-, (1R,2R,4aR,6S,8aS)- [ACD/Index Name]
Acide (1R,2R,4aR,6S,8aS)-2-hydroxy-1,2,6-triméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
Libertalide B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 375.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.1±6.0 kJ/mol
Flash Point: 195.0±23.0 °C
Index of Refraction: 1.512
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 36.48
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 217.8±3.0 cm3

Click to predict properties on the Chemicalize site


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