ChemSpider 2D Image | (2R,3R,3aS,9aR)-3-[2-(3-Furyl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyldodecahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde | C25H38O3

(2R,3R,3aS,9aR)-3-[2-(3-Furyl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyldodecahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde

  • Molecular FormulaC25H38O3
  • Average mass386.567 Da
  • Monoisotopic mass386.282104 Da
  • ChemSpider ID30651380

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(2R,3R,3aS,9aR)-3-[2-(3-Furyl)-2-hydroxyéthyl]-2,3a,6,6,9a-pentaméthyldodécahydro-1H-cyclopenta[a]naphtalène-2-carbaldéhyde [French] [ACD/IUPAC Name]
(2R,3R,3aS,9aR)-3-[2-(3-Furyl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyldodecahydro-1H-cyclopenta[a]naphthalene-2-carbaldehyde [ACD/IUPAC Name]
(2R,3R,3aS,9aR)-3-[2-(3-Furyl)-2-hydroxyethyl]-2,3a,6,6,9a-pentamethyldodecahydro-1H-cyclopenta[a]naphthalin-2-carbaldehyd [German] [ACD/IUPAC Name]
1H-Benz[e]indene-2-carboxaldehyde, 3-[2-(3-furanyl)-2-hydroxyethyl]dodecahydro-2,3a,6,6,9a-pentamethyl-, (2R,3R,3aS,9aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.7±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.0±20.1 °C
Index of Refraction: 1.534
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 52909.38
ACD/KOC (pH 5.5): 83692.51
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 52909.38
ACD/KOC (pH 7.4): 83692.51
Polar Surface Area: 50 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 364.9±3.0 cm3

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