ChemSpider 2D Image | (1S,2Z,4S,7R,8R,11S,12R)-12-Hydroxy-2,7,11-trimethyl-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-2-en-6-one | C15H22O4

(1S,2Z,4S,7R,8R,11S,12R)-12-Hydroxy-2,7,11-trimethyl-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-6-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID23326391

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2Z,4S,7R,8R,11S,12R)-12-Hydroxy-2,7,11-trimethyl-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-6-on [German] [ACD/IUPAC Name]
(1S,2Z,4S,7R,8R,11S,12R)-12-Hydroxy-2,7,11-trimethyl-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-6-one [ACD/IUPAC Name]
(1S,2Z,4S,7R,8R,11S,12R)-12-Hydroxy-2,7,11-triméthyl-5,14-dioxatricyclo[9.2.1.04,8]tétradéc-2-én-6-one [French] [ACD/IUPAC Name]
6,9-Epoxycyclodeca[b]furan-2(3H)-one, 3a,4,5,6,7,8,9,11a-octahydro-7-hydroxy-3,6,10-trimethyl-, (3R,3aR,6S,7R,9S,10Z,11aS)- [ACD/Index Name]
(3R,3aR,6S,7R,9S,10Z,11aS)-7-hydroxy-3,6,10-trimethyl-3a,4,5,6,7,8,9,11a-octahydro-6,9-epoxycyclodeca[b]furan-2(3H)-one
caruifolin A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445761/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±6.0 kJ/mol
Flash Point: 162.3±22.2 °C
Index of Refraction: 1.515
Molar Refractivity: 70.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.86
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.99
ACD/KOC (pH 5.5): 125.29
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.99
ACD/KOC (pH 7.4): 125.29
Polar Surface Area: 56 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 232.0±3.0 cm3

Click to predict properties on the Chemicalize site


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