ChemSpider 2D Image | (1R,2S,7S,8E,10S)-7-Hydroxy-2-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-4-one | C10H14O4

(1R,2S,7S,8E,10S)-7-Hydroxy-2-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-4-one

  • Molecular FormulaC10H14O4
  • Average mass198.216 Da
  • Monoisotopic mass198.089203 Da
  • ChemSpider ID23314542

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,2S,7S,8E,10S)-7-Hydroxy-2-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-4-on [German] [ACD/IUPAC Name]
(1R,2S,7S,8E,10S)-7-Hydroxy-2-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-4-one [ACD/IUPAC Name]
(1R,2S,7S,8E,10S)-7-Hydroxy-2-méthyl-3,11-dioxabicyclo[8.1.0]undéc-8-én-4-one [French] [ACD/IUPAC Name]
3,11-Dioxabicyclo[8.1.0]undec-8-en-4-one, 7-hydroxy-2-methyl-, (1R,2S,7S,8E,10S)- [ACD/Index Name]
(1α,2α,7α,10α)-7-hydroxy-2-methyl-3,11-dioaxabicyclo[8.1.0]undec-8-en-4-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL404664/
Stagonolide D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 161.7±21.4 °C
Index of Refraction: 1.503
Molar Refractivity: 48.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.83
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.83
Polar Surface Area: 59 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 165.0±3.0 cm3

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