ChemSpider 2D Image | (3aR,5aR,10aS,10bS)-10b-Hydroxy-1-isopropyl-3a,5a-dimethyl-3,6-dioxo-3,3a,4,5,5a,6,7,10,10a,10b-decahydrocyclohepta[e]indene-8-carbaldehyde | C20H26O4

(3aR,5aR,10aS,10bS)-10b-Hydroxy-1-isopropyl-3a,5a-dimethyl-3,6-dioxo-3,3a,4,5,5a,6,7,10,10a,10b-decahydrocyclohepta[e]indene-8-carbaldehyde

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID23285093

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,5aR,10aS,10bS)-10b-Hydroxy-1-isopropyl-3a,5a-dimethyl-3,6-dioxo-3,3a,4,5,5a,6,7,10,10a,10b-decahydrocyclohepta[e]inden-8-carbaldehyd [German] [ACD/IUPAC Name]
(3aR,5aR,10aS,10bS)-10b-Hydroxy-1-isopropyl-3a,5a-dimethyl-3,6-dioxo-3,3a,4,5,5a,6,7,10,10a,10b-decahydrocyclohepta[e]indene-8-carbaldehyde [ACD/IUPAC Name]
(3aR,5aR,10aS,10bS)-10b-Hydroxy-1-isopropyl-3a,5a-diméthyl-3,6-dioxo-3,3a,4,5,5a,6,7,10,10a,10b-décahydrocyclohepta[e]indène-8-carbaldéhyde [French] [ACD/IUPAC Name]
(3aR,5aR,10aS,10bS)-10b-hydroxy-3a,5a-dimethyl-3,6-dioxo-1-(propan-2-yl)-3,3a,4,5,5a,6,7,10,10a,10b-decahydrocyclohepta[e]indene-8-carbaldehyde
Cyclohept[e]indene-8-carboxaldehyde, 3,3a,4,5,5a,6,7,10,10a,10b-decahydro-10b-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-3,6-dioxo-, (3aR,5aR,10aS,10bS)- [ACD/Index Name]
1,14-dioxo-4-hydroxy-cyatha-2,11-dien-12-carbaldehyde
Cyrneine 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: 499.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 269.9±25.2 °C
Index of Refraction: 1.603
Molar Refractivity: 91.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.29
ACD/KOC (pH 5.5): 289.51
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.29
ACD/KOC (pH 7.4): 289.50
Polar Surface Area: 71 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 265.9±3.0 cm3

Click to predict properties on the Chemicalize site


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