ChemSpider 2D Image | (2'R,3'R,6'S)-3',6'-Dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-one | C15H20O4

(2'R,3'R,6'S)-3',6'-Dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID110803778

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2'R,3'R,6'S)-3',6'-Dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-on [German] [ACD/IUPAC Name]
(2'R,3'R,6'S)-3',6'-Dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-one [ACD/IUPAC Name]
(2'R,3'R,6'S)-3',6'-Dihydroxy-2'-(hydroxyméthyl)-2',4',6'-triméthyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-one [French] [ACD/IUPAC Name]
Spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one, 2',3'-dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-, (2'R,3'R,6'S)- [ACD/Index 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: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: 276.1±26.6 °C
Index of Refraction: 1.620
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 37.80
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.12
ACD/KOC (pH 7.4): 37.80
Polar Surface Area: 78 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 197.2±5.0 cm3

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