ChemSpider 2D Image | Kikkanol C | C15H24O3

Kikkanol C

  • Molecular FormulaC15H24O3
  • Average mass252.349 Da
  • Monoisotopic mass252.172546 Da
  • ChemSpider ID30791620

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4aS,5S,6R,7S,8aR)-5,6-Dihydroxy-7-isopropyl-4a-méthyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphtalènecarbaldéhyde [French] [ACD/IUPAC Name]
(4aS,5S,6R,7S,8aR)-5,6-Dihydroxy-7-isopropyl-4a-methyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarbaldehyde [ACD/IUPAC Name]
(4aS,5S,6R,7S,8aR)-5,6-Dihydroxy-7-isopropyl-4a-methyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalincarbaldehyd [German] [ACD/IUPAC Name]
1-Naphthalenecarboxaldehyde, 3,4,4a,5,6,7,8,8a-octahydro-5,6-dihydroxy-4a-methyl-7-(1-methylethyl)-, (4aS,5S,6R,7S,8aR)- [ACD/Index Name]
Kikkanol C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 372.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.7±6.0 kJ/mol
Flash Point: 193.1±24.4 °C
Index of Refraction: 1.578
Molar Refractivity: 72.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 29.36
ACD/KOC (pH 5.5): 391.02
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 29.36
ACD/KOC (pH 7.4): 391.02
Polar Surface Area: 58 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 217.1±3.0 cm3

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