ChemSpider 2D Image | (2aR,5aR,7Z,11Z,14aS,14bS,14cS)-4-Hydroxy-5a,9,9,12-tetramethyl-2a,5a,6,9,10,13,14,14a,14b,14c-decahydro-1,5-dioxacyclopenta[cd]cycloundeca[f]inden-3(2H)-one | C22H30O4

(2aR,5aR,7Z,11Z,14aS,14bS,14cS)-4-Hydroxy-5a,9,9,12-tetramethyl-2a,5a,6,9,10,13,14,14a,14b,14c-decahydro-1,5-dioxacyclopenta[cd]cycloundeca[f]inden-3(2H)-one

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID58168780

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2aR,5aR,7Z,11Z,14aS,14bS,14cS)-4-Hydroxy-5a,9,9,12-tetramethyl-2a,5a,6,9,10,13,14,14a,14b,14c-decahydro-1,5-dioxacyclopenta[cd]cycloundeca[f]inden-3(2H)-on [German] [ACD/IUPAC Name]
(2aR,5aR,7Z,11Z,14aS,14bS,14cS)-4-Hydroxy-5a,9,9,12-tetramethyl-2a,5a,6,9,10,13,14,14a,14b,14c-decahydro-1,5-dioxacyclopenta[cd]cycloundeca[f]inden-3(2H)-one [ACD/IUPAC Name]
(2aR,5aR,7Z,11Z,14aS,14bS,14cS)-4-Hydroxy-5a,9,9,12-tétraméthyl-2a,5a,6,9,10,13,14,14a,14b,14c-décahydro-1,5-dioxacyclopenta[cd]cycloundéca[f]indén-3(2H)-one [French] [ACD/IUPAC Name]
1,5-Dioxacyclopenta[cd]cycloundec[f]inden-3(2H)-one, 2a,5a,6,9,10,13,14,14a,14b,14c-decahydro-4-hydroxy-5a,9,9,12-tetramethyl-, (2aR,5aR,7Z,11Z,14aS,14bS,14cS)- [ACD/Index Name]
(2aR,5aR,11E,14aS,14bS,14cS)-4-hydroxy-5a,9,9,12-tetramethyl-2a,5a,6,9,10,13,14,14a,14b,14c-decahydro-1,5-dioxacyclopenta[cd]cycloundeca[f]inden-3(2)-one
xenovulene A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 165.0±22.2 °C
Index of Refraction: 1.571
Molar Refractivity: 99.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6975.64
ACD/KOC (pH 5.5): 19625.36
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6927.43
ACD/KOC (pH 7.4): 19489.71
Polar Surface Area: 56 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 304.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement