ChemSpider 2D Image | (3aR)-6-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-3a,5a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,8,8a,10,10a-tetradecahydrodicyclopenta[a,f]naphthalene | C27H44

(3aR)-6-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-3a,5a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,8,8a,10,10a-tetradecahydrodicyclopenta[a,f]naphthalene

  • Molecular FormulaC27H44
  • Average mass368.638 Da
  • Monoisotopic mass368.344299 Da
  • ChemSpider ID22889301

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3aR)-6-[(2R,3E,5R)-5,6-Diméthyl-3-heptén-2-yl]-3a,5a-diméthyl-1,2,3,3a,3b,4,5,5a,6,7,8,8a,10,10a-tétradécahydrodicyclopenta[a,f]naphtalène [French] [ACD/IUPAC Name]
(3aR)-6-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-3a,5a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,8,8a,10,10a-tetradecahydrodicyclopenta[a,f]naphthalene [ACD/IUPAC Name]
(3aR)-6-[(2R,3E,5R)-5,6-Dimethyl-3-hepten-2-yl]-3a,5a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,8,8a,10,10a-tetradecahydrodicyclopenta[a,f]naphthalin [German] [ACD/IUPAC Name]
Dicyclopenta[a,f]naphthalene, 1,2,3,3a,5,5a,6,7,8,8a,8b,9,10,10a-tetradecahydro-8a,10a-dimethyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-, (8aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 441.8±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 67.2±0.8 kJ/mol
Flash Point: 217.3±14.4 °C
Index of Refraction: 1.523
Molar Refractivity: 118.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 9.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4694696.00
ACD/LogD (pH 7.4): 9.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 4694696.00
Polar Surface Area: 0 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 35.2±5.0 dyne/cm
Molar Volume: 387.5±5.0 cm3

Click to predict properties on the Chemicalize site


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