ChemSpider 2D Image | (2S)-2-[(1R,3R,4S,7S,8S)-3,8-Dimethyl-2,5-dioxotricyclo[5.3.0.0~4,8~]dec-1-yl]propanoic acid | C15H20O4

(2S)-2-[(1R,3R,4S,7S,8S)-3,8-Dimethyl-2,5-dioxotricyclo[5.3.0.04,8]dec-1-yl]propanoic acid

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID24735495

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-[(1R,3R,4S,7S,8S)-3,8-Dimethyl-2,5-dioxotricyclo[5.3.0.04,8]dec-1-yl]propanoic acid [ACD/IUPAC Name]
(2S)-2-[(1R,3R,4S,7S,8S)-3,8-Dimethyl-2,5-dioxotricyclo[5.3.0.04,8]dec-1-yl]propansäure [German] [ACD/IUPAC Name]
1,4-Ethanopentalene-1(2H)-acetic acid, hexahydro-α,3a,7-trimethyl-5,8-dioxo-, (αS,1R,3aS,4S,6aS,7R)- [ACD/Index Name]
Acide (2S)-2-[(1R,3R,4S,7S,8S)-3,8-diméthyl-2,5-dioxotricyclo[5.3.0.04,8]déc-1-yl]propanoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 434.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±6.0 kJ/mol
Flash Point: 230.6±18.3 °C
Index of Refraction: 1.557
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 208.7±3.0 cm3

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