ChemSpider 2D Image | (1S,2S,10R)-2,6,6,10,12-Pentamethyltetracyclo[10.2.1.0~1,10~.0~2,7~]pentadecan-11-one | C20H32O

(1S,2S,10R)-2,6,6,10,12-Pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-one

  • Molecular FormulaC20H32O
  • Average mass288.467 Da
  • Monoisotopic mass288.245331 Da
  • ChemSpider ID22871846

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,2S,10R)-2,6,6,10,12-Pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-on [German] [ACD/IUPAC Name]
(1S,2S,10R)-2,6,6,10,12-Pentamethyltetracyclo[10.2.1.01,10.02,7]pentadecan-11-one [ACD/IUPAC Name]
(1S,2S,10R)-2,6,6,10,12-Pentaméthyltétracyclo[10.2.1.01,10.02,7]pentadécan-11-one [French] [ACD/IUPAC Name]
2H-2,4a-Methanophenanthren-1(6H)-one, decahydro-2,4b,8,8,10a-pentamethyl-, (4aS,4bS,10aR)- [ACD/Index Name]
(2R,4aS,4bS,10aR)-2,4b,8,8,10a-pentamethyldodecahydro-1H-2,4a-methanophenanthren-1-one
C20H32O

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 355.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 160.7±11.3 °C
Index of Refraction: 1.526
Molar Refractivity: 86.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15299.14
ACD/KOC (pH 5.5): 34432.78
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15299.14
ACD/KOC (pH 7.4): 34432.78
Polar Surface Area: 17 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 282.0±5.0 cm3

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