ChemSpider 2D Image | 3-[(3s,5s,7s)-Adamantan-1-yl]-2,4-pentanedione | C15H22O2

3-[(3s,5s,7s)-Adamantan-1-yl]-2,4-pentanedione

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID29365715

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,4-Pentanedione, 3-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-2,4-pentandion [German] [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-2,4-pentanedione [ACD/IUPAC Name]
3-[(3s,5s,7s)-Adamantan-1-yl]-2,4-pentanedione [French] [ACD/IUPAC Name]
[102402-84-6] [RN]
102402-84-6 [RN]
3-(1-adamantyl)-2,4-pentanedione
3-(1-Adamantyl)pentane-2,4-dione
3-(Adamantan-1-yl)pentane-2,4-dione
MFCD02258891 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 335.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 126.0±17.4 °C
Index of Refraction: 1.524
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.18
ACD/KOC (pH 5.5): 1637.93
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.01
ACD/KOC (pH 7.4): 1636.69
Polar Surface Area: 34 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 213.6±3.0 cm3

Click to predict properties on the Chemicalize site


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